N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

C27H53N3O4 — CID 144693572

IUPACN-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCCCCCOCN(C(=O)C(NC(=O)C1CCCCN1C)C(C)CC)[C@H](C[C@H](C)OC)C(C)C
InChIInChI=1S/C27H53N3O4/c1-9-11-14-17-34-19-30(24(20(3)4)18-22(6)33-8)27(32)25(21(5)10-2)28-26(31)23-15-12-13-16-29(23)7/h20-25H,9-19H2,1-8H3,(H,28,31)/t21?,22-,23?,24+,25?/m0/s1
InChIKeyINEQPYCXDHXKKD-CMZNJMNKSA-N
MW483.74 g/mol
LogP4.44
Rot. Bonds16

About N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide

N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (PubChem CID 144693572) has the molecular formula C27H53N3O4 and a molecular weight of 483.74 g/mol. Its IUPAC name is N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
PubChem CID144693572
Molecular FormulaC27H53N3O4
Molecular Weight483.74 g/mol
Exact Mass483.40
IUPAC NameN-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
SMILESCCCCCOCN(C(=O)C(NC(=O)C1CCCCN1C)C(C)CC)[C@H](C[C@H](C)OC)C(C)C
InChIInChI=1S/C27H53N3O4/c1-9-11-14-17-34-19-30(24(20(3)4)18-22(6)33-8)27(32)25(21(5)10-2)28-26(31)23-15-12-13-16-29(23)7/h20-25H,9-19H2,1-8H3,(H,28,31)/t21?,22-,23?,24+,25?/m0/s1
InChIKeyINEQPYCXDHXKKD-CMZNJMNKSA-N
XLogP4.44
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.74
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
CID 90175661
(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide
CID 144755354
2-[(1R,3R)-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2S)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-propylamino]-1-propoxypentyl]-1,3-thiazole-4-carboxylic acid
CID 169450208
(2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(propoxymethyl)amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
CID 130457974
2-[(1R,3R)-3-[butanoyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methyl-1-propan-2-yloxypentyl]-1,3-thiazole-4-carboxylic acid
CID 118303453
2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carboxylic acid;(2S,4R)-6-[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazol-4-yl]-4-benzyl-2-methyl-6-oxohexanoic acid;N,N-diethylethanamine;(2,3,4,5,6-pentafluorophenyl) 2-[(1R,3R)-1-acetyloxy-4-methyl-3-[[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]-(pentoxymethyl)amino]pentyl]-1,3-thiazole-4-carboxylate
CID 162146994
ethyl 2-[(1R,3R)-3-[hexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methyl-1-(methylcarbamoyloxy)pentyl]-1,3-thiazole-4-carboxylate
CID 162530016
(2S,4R)-4-[[2-[(1R,3R)-1-hydroxy-3-[2-hydroxyethoxymethyl-[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-5-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 130368000
methyl (2S)-2-[[2-[(1R,3R)-1-hydroxy-3-[methoxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoate
CID 70791708
(2,3,4,5,6-pentafluorophenyl) 2-[(1R,3R)-1-acetamido-3-[hexyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carboxylate
CID 168968954
2-[(1R,3R)-3-[hexoxy-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methyl-1-(methylcarbamoyloxy)pentyl]-1,3-thiazole-4-carboxylic acid
CID 156904086
[(1R,3R)-4-methyl-3-[[(2S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]-(pentoxymethyl)amino]-1-[4-[[(2R,4S)-4-methyl-5-oxo-1-phenyl-5-[2-[2-(pyridin-2-yldisulfanyl)ethoxycarbonyl]hydrazinyl]pentan-2-yl]carbamoyl]-1,3-thiazol-2-yl]pentyl] acetate
CID 118669384

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide (CID 144693572) is N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is CCCCCOCN(C(=O)C(NC(=O)C1CCCCN1C)C(C)CC)[C@H](C[C@H](C)OC)C(C)C.
What is the InChIKey of N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
The InChIKey is INEQPYCXDHXKKD-CMZNJMNKSA-N. The full InChI is InChI=1S/C27H53N3O4/c1-9-11-14-17-34-19-30(24(20(3)4)18-22(6)33-8)27(32)25(21(5)10-2)28-26(31)23-15-12-13-16-29(23)7/h20-25H,9-19H2,1-8H3,(H,28,31)/t21?,22-,23?,24+,25?/m0/s1.
What are the key properties of N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide?
N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide has a molecular weight of 483.74 g/mol, XLogP of 4.44, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide is sourced from PubChem (CID 144693572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).