4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide

C24H39N5O — CID 55793525

IUPAC4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)c1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C24H39N5O/c30-24(26-19-22-8-11-25-23(18-22)28-14-6-3-7-15-28)29-16-9-21(10-17-29)20-27-12-4-1-2-5-13-27/h8,11,18,21H,1-7,9-10,12-17,19-20H2,(H,26,30)
InChIKeyRFQPVDCMYOHEJL-UHFFFAOYSA-N
MW413.61 g/mol
LogP3.87
Rot. Bonds5

About 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide

4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide (PubChem CID 55793525) has the molecular formula C24H39N5O and a molecular weight of 413.61 g/mol. Its IUPAC name is 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
PubChem CID55793525
Molecular FormulaC24H39N5O
Molecular Weight413.61 g/mol
Exact Mass413.32
IUPAC Name4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccnc(N2CCCCC2)c1)N1CCC(CN2CCCCCC2)CC1
InChIInChI=1S/C24H39N5O/c30-24(26-19-22-8-11-25-23(18-22)28-14-6-3-7-15-28)29-16-9-21(10-17-29)20-27-12-4-1-2-5-13-27/h8,11,18,21H,1-7,9-10,12-17,19-20H2,(H,26,30)
InChIKeyRFQPVDCMYOHEJL-UHFFFAOYSA-N
XLogP3.87
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-4-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 86898946
4-N,4-N-dimethyl-1-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87003345
4-(4-methylbenzoyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 55913038
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-N'-methyl-3-(morpholin-4-ylmethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111997396
2-(hydroxymethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-1-carboxamide
CID 111427840
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(2-cyclopentylethyl)urea
CID 86898877
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3,3-bis(trifluoromethyl)pyrrolidine-1-carboxamide
CID 86967032
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
CID 86882069
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 86898973
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 111996464

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide (CID 55793525) is 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide is O=C(NCc1ccnc(N2CCCCC2)c1)N1CCC(CN2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
The InChIKey is RFQPVDCMYOHEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N5O/c30-24(26-19-22-8-11-25-23(18-22)28-14-6-3-7-15-28)29-16-9-21(10-17-29)20-27-12-4-1-2-5-13-27/h8,11,18,21H,1-7,9-10,12-17,19-20H2,(H,26,30).
What are the key properties of 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide?
4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide has a molecular weight of 413.61 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-ylmethyl)-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 55793525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).