(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide

C18H35N3O2 — CID 144755354

IUPAC(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide
SMILESCCC(C)C(NC(=O)[C@H]1CCCCN1C)C(=O)N(C)CC(C)C
InChIInChI=1S/C18H35N3O2/c1-7-14(4)16(18(23)21(6)12-13(2)3)19-17(22)15-10-8-9-11-20(15)5/h13-16H,7-12H2,1-6H3,(H,19,22)/t14?,15-,16?/m1/s1
InChIKeyANHAYAVISSVVGH-HWOWSKLDSA-N
MW325.50 g/mol
LogP2.12
Rot. Bonds7

About (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide

(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide (PubChem CID 144755354) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide
PubChem CID144755354
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide
SMILESCCC(C)C(NC(=O)[C@H]1CCCCN1C)C(=O)N(C)CC(C)C
InChIInChI=1S/C18H35N3O2/c1-7-14(4)16(18(23)21(6)12-13(2)3)19-17(22)15-10-8-9-11-20(15)5/h13-16H,7-12H2,1-6H3,(H,19,22)/t14?,15-,16?/m1/s1
InChIKeyANHAYAVISSVVGH-HWOWSKLDSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-methyl-N-[(3S)-4-methyl-2-oxohexan-3-yl]piperidine-2-carboxamide
CID 90175661
benzyl 3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoate
CID 59515941
N-[1-[[(3R,5S)-5-methoxy-2-methylhexan-3-yl]-(pentoxymethyl)amino]-3-methyl-1-oxopentan-2-yl]-1-methylpiperidine-2-carboxamide
CID 144693572
(E)-2-methyl-4-[methyl-[(3S)-3-methyl-2-[(1-propan-2-ylpiperidine-2-carbonyl)amino]pentanoyl]amino]but-2-enoic acid;propane
CID 142813698
2-[1-hydroxy-4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66839641
N-[(2S)-1-[[(E,3S)-6-(diethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 58650245
[(1R,3R)-1-(4-carbamoyl-1,3-thiazol-2-yl)-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl] acetate
CID 175865111
(2R)-N-[(2S)-1-[[(3S)-6-(dimethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 91123387
N-[(2S)-1-[[(3S)-6-(dimethylamino)-2,5-dimethyl-6-oxohex-4-en-3-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-1-methylpiperidine-2-carboxamide
CID 91424496
(4S)-2,5-dimethyl-4-[methyl-[(2S)-3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]butanoyl]amino]hex-2-enoic acid
CID 90956139
ethyl (4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhept-2-enoate
CID 90688418
2-methyl-4-[[2-[4-methyl-3-[methyl-[3-methyl-2-[(1-methylpiperidine-2-carbonyl)amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-phenylpentanoic acid
CID 74947484

Frequently Asked Questions

What is the IUPAC name of (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide (CID 144755354) is (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide is CCC(C)C(NC(=O)[C@H]1CCCCN1C)C(=O)N(C)CC(C)C.
What is the InChIKey of (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide?
The InChIKey is ANHAYAVISSVVGH-HWOWSKLDSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-7-14(4)16(18(23)21(6)12-13(2)3)19-17(22)15-10-8-9-11-20(15)5/h13-16H,7-12H2,1-6H3,(H,19,22)/t14?,15-,16?/m1/s1.
What are the key properties of (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide?
(2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide has a molecular weight of 325.50 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-N-[3-methyl-1-[methyl(2-methylpropyl)amino]-1-oxopentan-2-yl]piperidine-2-carboxamide is sourced from PubChem (CID 144755354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).