N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide

C20H32N4O — CID 46384657

IUPACN-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C20H32N4O/c25-20(22-10-6-15-23-13-3-1-2-4-14-23)18-7-5-16-24(17-18)19-8-11-21-12-9-19/h8-9,11-12,18H,1-7,10,13-17H2,(H,22,25)
InChIKeyLCNXNBJYDQBBNK-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.68
Rot. Bonds6

About N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide

N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide (PubChem CID 46384657) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
PubChem CID46384657
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC NameN-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
SMILESO=C(NCCCN1CCCCCC1)C1CCCN(c2ccncc2)C1
InChIInChI=1S/C20H32N4O/c25-20(22-10-6-15-23-13-3-1-2-4-14-23)18-7-5-16-24(17-18)19-8-11-21-12-9-19/h8-9,11-12,18H,1-7,10,13-17H2,(H,22,25)
InChIKeyLCNXNBJYDQBBNK-UHFFFAOYSA-N
XLogP2.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[2-(azepan-1-yl)ethyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882153
N-cycloheptyl-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384630
1-(1-methyl-6-oxopyridazin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 53203905
(3R)-N-[(4-chlorophenyl)methyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 92882098
N-(3-piperidin-1-ylpropyl)-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50771839
N-[3-(azepan-1-yl)propyl]-1-(2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-yl)piperidine-3-carboxamide
CID 46328210
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528
N-(furan-2-ylmethyl)-1-pyridin-4-ylpiperidine-3-carboxamide
CID 20973198
4-oxo-N-(3-piperidin-1-ylpropyl)-1-(pyridin-4-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199556
N-[3-(azepan-1-yl)propyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 133167771
N-[3-(methylamino)propyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119429825
(3S)-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 92884265

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide (CID 46384657) is N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide is O=C(NCCCN1CCCCCC1)C1CCCN(c2ccncc2)C1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
The InChIKey is LCNXNBJYDQBBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c25-20(22-10-6-15-23-13-3-1-2-4-14-23)18-7-5-16-24(17-18)19-8-11-21-12-9-19/h8-9,11-12,18H,1-7,10,13-17H2,(H,22,25).
What are the key properties of N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide?
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 46384657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).