N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide

C16H31N3O — CID 119852387

IUPACN-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
SMILESCC1CCN(CCCCNC(=O)C2CCCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-14-6-11-19(12-7-14)10-3-2-9-18-16(20)15-5-4-8-17-13-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyVMVJGRQUMOFQNG-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.61
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide

N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide (PubChem CID 119852387) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
PubChem CID119852387
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
SMILESCC1CCN(CCCCNC(=O)C2CCCNC2)CC1
InChIInChI=1S/C16H31N3O/c1-14-6-11-19(12-7-14)10-3-2-9-18-16(20)15-5-4-8-17-13-15/h14-15,17H,2-13H2,1H3,(H,18,20)
InChIKeyVMVJGRQUMOFQNG-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
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-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
N-[4-(4-methylpiperidin-1-yl)butyl]-3-piperidin-3-ylbutanamide
CID 119852423

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide (CID 119852387) is N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide is CC1CCN(CCCCNC(=O)C2CCCNC2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
The InChIKey is VMVJGRQUMOFQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14-6-11-19(12-7-14)10-3-2-9-18-16(20)15-5-4-8-17-13-15/h14-15,17H,2-13H2,1H3,(H,18,20).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide?
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide is sourced from PubChem (CID 119852387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).