N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide

C16H31N3O — CID 60981241

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCNCC1)C1CCCCC1
InChIInChI=1S/C16H31N3O/c1-19(15-6-3-2-4-7-15)13-5-10-18-16(20)14-8-11-17-12-9-14/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyPAWGZPJPQILSIO-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.76
Rot. Bonds6

About N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide (PubChem CID 60981241) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
PubChem CID60981241
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
SMILESCN(CCCNC(=O)C1CCNCC1)C1CCCCC1
InChIInChI=1S/C16H31N3O/c1-19(15-6-3-2-4-7-15)13-5-10-18-16(20)14-8-11-17-12-9-14/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyPAWGZPJPQILSIO-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-3-carboxamide
CID 60981375
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]cyclopentane-1-carboxamide
CID 66009397
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N-[3-[cyclohexyl(methyl)amino]propyl]-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384789
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide (CID 60981241) is N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide is CN(CCCNC(=O)C1CCNCC1)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide?
The InChIKey is PAWGZPJPQILSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19(15-6-3-2-4-7-15)13-5-10-18-16(20)14-8-11-17-12-9-14/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide is sourced from PubChem (CID 60981241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).