N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C21H34N4O — CID 46384789

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccncc2)CC1)C1CCCCC1
InChIInChI=1S/C21H34N4O/c1-24(19-6-3-2-4-7-19)15-5-12-23-21(26)18-10-16-25(17-11-18)20-8-13-22-14-9-20/h8-9,13-14,18-19H,2-7,10-12,15-17H2,1H3,(H,23,26)
InChIKeyIQKINRSTTFOKGP-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.07
Rot. Bonds7

About N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 46384789) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID46384789
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCN(c2ccncc2)CC1)C1CCCCC1
InChIInChI=1S/C21H34N4O/c1-24(19-6-3-2-4-7-19)15-5-12-23-21(26)18-10-16-25(17-11-18)20-8-13-22-14-9-20/h8-9,13-14,18-19H,2-7,10-12,15-17H2,1H3,(H,23,26)
InChIKeyIQKINRSTTFOKGP-UHFFFAOYSA-N
XLogP3.07
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.07
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

N-[3-(2-methylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384778
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392086
N-[3-(2-ethylpiperidin-1-yl)propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384777
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
CID 22513414
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(4-ethyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 53062510
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-4-carboxamide
CID 20952090
phenylmethoxycarbonylamino 5-[(1-pyridin-4-ylpiperidine-4-carbonyl)amino]pentanoate
CID 174387508
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
N-[3-(azepan-1-yl)propyl]-1-pyridin-4-ylpiperidine-3-carboxamide
CID 46384657
N-[3-[cyclohexyl(methyl)amino]propyl]-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 20926481
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 46384789) is N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is CN(CCCNC(=O)C1CCN(c2ccncc2)CC1)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is IQKINRSTTFOKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-24(19-6-3-2-4-7-19)15-5-12-23-21(26)18-10-16-25(17-11-18)20-8-13-22-14-9-20/h8-9,13-14,18-19H,2-7,10-12,15-17H2,1H3,(H,23,26).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 358.53 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 46384789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).