phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate

C24H30N4O5 — CID 174387508

IUPACphenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate
SMILESO=C(CCCCNC(=O)C1CCN(c2ccncc2)CC1)ONC(=O)OCc1ccccc1
InChIInChI=1S/C24H30N4O5/c29-22(33-27-24(31)32-18-19-6-2-1-3-7-19)8-4-5-13-26-23(30)20-11-16-28(17-12-20)21-9-14-25-15-10-21/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,26,30)(H,27,31)
InChIKeyNFBWKGLHQFMTGJ-UHFFFAOYSA-N
MW454.53 g/mol
LogP2.97
Rot. Bonds9

About phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate

phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate (PubChem CID 174387508) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namephenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate
PubChem CID174387508
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Namephenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate
SMILESO=C(CCCCNC(=O)C1CCN(c2ccncc2)CC1)ONC(=O)OCc1ccccc1
InChIInChI=1S/C24H30N4O5/c29-22(33-27-24(31)32-18-19-6-2-1-3-7-19)8-4-5-13-26-23(30)20-11-16-28(17-12-20)21-9-14-25-15-10-21/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,26,30)(H,27,31)
InChIKeyNFBWKGLHQFMTGJ-UHFFFAOYSA-N
XLogP2.97
TPSA109.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate 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

N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384789
N-[(3-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384677
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
1-(2-phenylethyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263594
4-amino-1-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]butan-1-one;benzyl N-[4-[1-(3,5-dichloro-4-pyridinyl)piperidin-4-yl]-4-oxobutyl]carbamate;methane;hydrate
CID 157421868
benzyl 4-(2-chloroethylcarbamoyl)piperidine-1-carboxylate
CID 3416715
3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
CID 60554630
methyl 4-[[1-(4-carbamimidoylphenyl)piperidine-4-carbonyl]amino]butanoate;dihydrochloride
CID 19391280
N-(2-phenylethyl)-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 1442082
(2S)-1-[4-(phenylmethoxycarbonylamino)butyl]pyrrolidine-2-carboxylic acid
CID 101131452

Frequently Asked Questions

What is the IUPAC name of phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate?
The IUPAC name of phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate (CID 174387508) is phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate.
What is the SMILES notation for phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate?
The canonical SMILES for phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate is O=C(CCCCNC(=O)C1CCN(c2ccncc2)CC1)ONC(=O)OCc1ccccc1.
What is the InChIKey of phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate?
The InChIKey is NFBWKGLHQFMTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c29-22(33-27-24(31)32-18-19-6-2-1-3-7-19)8-4-5-13-26-23(30)20-11-16-28(17-12-20)21-9-14-25-15-10-21/h1-3,6-7,9-10,14-15,20H,4-5,8,11-13,16-18H2,(H,26,30)(H,27,31).
What are the key properties of phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate?
phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate has a molecular weight of 454.53 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 174387508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).