N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide

C16H30N2O2 — CID 104596903

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2(C)CCCCN2)CC1
InChIInChI=1S/C16H30N2O2/c1-14(2)7-9-16(20,10-8-14)12-17-13(19)15(3)6-4-5-11-18-15/h18,20H,4-12H2,1-3H3,(H,17,19)
InChIKeyQFCQAMNOIVESHI-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.97
Rot. Bonds3

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104596903) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
PubChem CID104596903
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
SMILESCC1(C)CCC(O)(CNC(=O)C2(C)CCCCN2)CC1
InChIInChI=1S/C16H30N2O2/c1-14(2)7-9-16(20,10-8-14)12-17-13(19)15(3)6-4-5-11-18-15/h18,20H,4-12H2,1-3H3,(H,17,19)
InChIKeyQFCQAMNOIVESHI-UHFFFAOYSA-N
XLogP1.97
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 65106651
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596904
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106101397
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
2-methyl-N-[(2-methylcyclohexyl)methyl]piperidine-2-carboxamide
CID 113368609
2-[1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cyclohexyl]acetic acid
CID 104596692
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 65120412
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
N-[1-(ethylamino)-1-oxopropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 113368563

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide (CID 104596903) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide is CC1(C)CCC(O)(CNC(=O)C2(C)CCCCN2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is QFCQAMNOIVESHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-14(2)7-9-16(20,10-8-14)12-17-13(19)15(3)6-4-5-11-18-15/h18,20H,4-12H2,1-3H3,(H,17,19).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).