N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide

C15H29N3O — CID 79163504

IUPACN-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCCCC2CN)C1
InChIInChI=1S/C15H29N3O/c1-12-5-4-8-18(11-12)15(19)17-10-14-7-3-2-6-13(14)9-16/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyWOODDTIHOUUGAG-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.19
Rot. Bonds3

About N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide

N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide (PubChem CID 79163504) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
PubChem CID79163504
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NCC2CCCCC2CN)C1
InChIInChI=1S/C15H29N3O/c1-12-5-4-8-18(11-12)15(19)17-10-14-7-3-2-6-13(14)9-16/h12-14H,2-11,16H2,1H3,(H,17,19)
InChIKeyWOODDTIHOUUGAG-UHFFFAOYSA-N
XLogP2.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]piperidine-1-carboxamide
CID 116654402
4-[[(3-methylpiperidine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525817
N-(4-amino-4-oxobutyl)-3-methylpiperidine-1-carboxamide
CID 115584144
3-methyl-N-prop-2-ynylpiperidine-1-carboxamide
CID 112722495
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
3-methyl-N-(thiolan-3-ylmethyl)piperidine-1-carboxamide
CID 107295549
N-[(3-hydroxycyclohexyl)methyl]-3-methylpiperidine-1-carboxamide
CID 106124949
3-(acetamidomethyl)-N-[(2-ethylcyclohexyl)methyl]piperidine-1-carboxamide
CID 166236584
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpiperidine-1-carboxamide
CID 79160357

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide (CID 79163504) is N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NCC2CCCCC2CN)C1.
What is the InChIKey of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is WOODDTIHOUUGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-5-4-8-18(11-12)15(19)17-10-14-7-3-2-6-13(14)9-16/h12-14H,2-11,16H2,1H3,(H,17,19).
What are the key properties of N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide?
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 267.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)cyclohexyl]methyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79163504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).