2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide

C14H27N3O — CID 62776858

IUPAC2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CNC(=O)C2CCCCC2N)CC1
InChIInChI=1S/C14H27N3O/c1-17-8-6-11(7-9-17)10-16-14(18)12-4-2-3-5-13(12)15/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyOAVFJJJBIMMTSJ-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide

2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 62776858) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
PubChem CID62776858
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CNC(=O)C2CCCCC2N)CC1
InChIInChI=1S/C14H27N3O/c1-17-8-6-11(7-9-17)10-16-14(18)12-4-2-3-5-13(12)15/h11-13H,2-10,15H2,1H3,(H,16,18)
InChIKeyOAVFJJJBIMMTSJ-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(cyclopentylmethyl)cyclopentane-1-carboxamide
CID 64822133
2-amino-N-[(4-methylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 63247870
2-amino-N-(cyclohexylmethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119672519
2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
2-amino-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 62825271
cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124697126
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
2-amino-N-(thiolan-3-ylmethyl)cyclopentane-1-carboxamide
CID 107295904
3-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylcyclohexane-1-carboxamide
CID 62783548
2-amino-N-(3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 64823304
N-[[(3S)-1-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95208543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide (CID 62776858) is 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide is CN1CCC(CNC(=O)C2CCCCC2N)CC1.
What is the InChIKey of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is OAVFJJJBIMMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-17-8-6-11(7-9-17)10-16-14(18)12-4-2-3-5-13(12)15/h11-13H,2-10,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide?
2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62776858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).