N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide

C16H30N2O — CID 104597083

IUPACN-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCCCN1)C1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-13(14-9-5-3-4-6-10-14)18-15(19)16(2)11-7-8-12-17-16/h13-14,17H,3-12H2,1-2H3,(H,18,19)/t13-,16?/m1/s1
InChIKeyZGZXNWLZDLNELS-JBZHPUCOSA-N
MW266.43 g/mol
LogP2.99
Rot. Bonds3

About N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide

N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104597083) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide
PubChem CID104597083
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide
SMILESC[C@@H](NC(=O)C1(C)CCCCN1)C1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-13(14-9-5-3-4-6-10-14)18-15(19)16(2)11-7-8-12-17-16/h13-14,17H,3-12H2,1-2H3,(H,18,19)/t13-,16?/m1/s1
InChIKeyZGZXNWLZDLNELS-JBZHPUCOSA-N
XLogP2.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-[3-[4-(3-aminopropylamino)butylamino]propylamino]-3-cyclohexyl-1-oxopropan-2-yl]cycloheptanecarboxamide
CID 155516492
(2S)-N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-2-(3-cyclohexylpropylamino)-2-methylpentanamide
CID 44306672
(S)-2-{(S)-2-[2-(3-Cyclohexyl-propylamino)-2-methyl-propionylamino]-pentanoylamino}-4-methyl-pentanoic acid amide
CID 44307119
N-(2-cyclooctylethyl)-2-piperazin-1-ylpropanamide
CID 49853882
3-((4-Ethylcyclohexyl)amino)azepan-2-one
CID 3866131
(3S,6S)-3-(4-aminobutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 57393165
2-[(endo)-8-(tert-Butylcarbamoyl)methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2,2-dimethylpropyl) acetamide
CID 126736662
N-[[(1S,5R)-8-[2-(tert-butylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]-4,4-dimethylpentanamide
CID 130191211
2-[(1S,5R)-3-(acetamidomethyl)-8-azabicyclo[3.2.1]octan-8-yl]-N-tert-butylacetamide
CID 145452975
(2S)-2-amino-N-[(2S)-1-(butylamino)-3-cyclohexyl-1-oxopropan-2-yl]-3-methylbutanamide
CID 10758455
(2S)-2-amino-4-methyl-N-[(1-tridecanoylpiperidin-2-yl)methyl]pentanamide
CID 44330804
(2S)-2-(butylamino)-N-(2-cycloheptylethyl)-4-methylpentanamide
CID 162650344

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide (CID 104597083) is N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide is C[C@@H](NC(=O)C1(C)CCCCN1)C1CCCCCC1.
What is the InChIKey of N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is ZGZXNWLZDLNELS-JBZHPUCOSA-N. The full InChI is InChI=1S/C16H30N2O/c1-13(14-9-5-3-4-6-10-14)18-15(19)16(2)11-7-8-12-17-16/h13-14,17H,3-12H2,1-2H3,(H,18,19)/t13-,16?/m1/s1.
What are the key properties of N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide?
N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 266.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cycloheptylethyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104597083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).