cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide

C15H25NO3 — CID 129344853

IUPACcis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
SMILESC[C@@H]1C[C@@H](C(=O)N(C)CC2(O)CCCC2)CCC1=O
InChIInChI=1S/C15H25NO3/c1-11-9-12(5-6-13(11)17)14(18)16(2)10-15(19)7-3-4-8-15/h11-12,19H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyJIIQJODWZBXBJX-NEPJUHHUSA-N
MW267.37 g/mol
LogP1.76
Rot. Bonds3

About cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide

cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide (PubChem CID 129344853) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
PubChem CID129344853
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Namecis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
SMILESC[C@@H]1C[C@@H](C(=O)N(C)CC2(O)CCCC2)CCC1=O
InChIInChI=1S/C15H25NO3/c1-11-9-12(5-6-13(11)17)14(18)16(2)10-15(19)7-3-4-8-15/h11-12,19H,3-10H2,1-2H3/t11-,12+/m1/s1
InChIKeyJIIQJODWZBXBJX-NEPJUHHUSA-N
XLogP1.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 114949026
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114951146
(2R)-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103840269
N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylpiperidine-3-carboxamide
CID 114949603
4-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 115760153
N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrrolidine-3-carboxamide
CID 114948903
cis-(1S,3R)-N-[(4-cyanophenyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide
CID 97249814
2-amino-N-[(1-hydroxycyclopentyl)methyl]-N,6-dimethylcyclohexane-1-carboxamide
CID 114953757
N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 114949609
N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 115759938
(2S)-N-[(1-hydroxycyclopentyl)methyl]-N-methyloxolane-2-carboxamide
CID 103874332
N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylpiperidine-3-carboxamide
CID 114949608

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide (CID 129344853) is cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide is C[C@@H]1C[C@@H](C(=O)N(C)CC2(O)CCCC2)CCC1=O.
What is the InChIKey of cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide?
The InChIKey is JIIQJODWZBXBJX-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H25NO3/c1-11-9-12(5-6-13(11)17)14(18)16(2)10-15(19)7-3-4-8-15/h11-12,19H,3-10H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide?
cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethyl-4-oxocyclohexane-1-carboxamide is sourced from PubChem (CID 129344853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).