N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide

C12H25N3O — CID 63249024

IUPACN-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C12H25N3O/c1-3-4-7-14-12(16)15-8-5-11(6-9-15)10-13-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyVRPPLLHDGKAKAK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.43
Rot. Bonds5

About N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide

N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide (PubChem CID 63249024) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
PubChem CID63249024
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-butyl-4-(methylaminomethyl)piperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(CNC)CC1
InChIInChI=1S/C12H25N3O/c1-3-4-7-14-12(16)15-8-5-11(6-9-15)10-13-2/h11,13H,3-10H2,1-2H3,(H,14,16)
InChIKeyVRPPLLHDGKAKAK-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
4-(hydroxymethyl)-N-pentylpiperidine-1-carboxamide
CID 110894057
N-butylaziridine-1-carboxamide
CID 55206947
4-(ethylaminomethyl)-N-propylpiperidine-1-carboxamide
CID 80552356
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
4-(azetidin-3-yloxy)-N-butylpiperidine-1-carboxamide
CID 165457542
N-decyl-4-methylpiperidine-1-carboxamide
CID 116656754
N-hexyl-4-methylpiperidine-1-carboxamide
CID 71899822
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
3-[1-(butylcarbamoyl)piperidin-4-yl]oxypropanoic acid
CID 55251437
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide?
The IUPAC name of N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide (CID 63249024) is N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide?
The canonical SMILES for N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide is CCCCNC(=O)N1CCC(CNC)CC1.
What is the InChIKey of N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide?
The InChIKey is VRPPLLHDGKAKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-4-7-14-12(16)15-8-5-11(6-9-15)10-13-2/h11,13H,3-10H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide?
N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(methylaminomethyl)piperidine-1-carboxamide is sourced from PubChem (CID 63249024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).