(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide

C15H28N2O — CID 120619148

IUPAC(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(C)C2CCCCCC2)CCN1
InChIInChI=1S/C15H28N2O/c1-12-11-13(9-10-16-12)15(18)17(2)14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyAAHBFANRVBSMBN-STQMWFEESA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds2

About (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide

(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide (PubChem CID 120619148) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide
PubChem CID120619148
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide
SMILESC[C@H]1C[C@@H](C(=O)N(C)C2CCCCCC2)CCN1
InChIInChI=1S/C15H28N2O/c1-12-11-13(9-10-16-12)15(18)17(2)14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3/t12-,13-/m0/s1
InChIKeyAAHBFANRVBSMBN-STQMWFEESA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethyl-2-methylpiperidine-4-carboxamide
CID 106738612
N,2-dimethyl-N-(1-propan-2-ylpiperidin-4-yl)piperidine-4-carboxamide
CID 106739309
(2S,4S)-N-(2,3-dihydro-1H-inden-2-yl)-N,2-dimethylpiperidine-4-carboxamide
CID 120625197
N-cyclohexyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 56831937
N-(cyclohexylmethyl)-N,2-dimethylpiperidine-4-carboxamide
CID 106739450
N-cyclobutyl-N-methylpiperidine-4-carboxamide
CID 115734286
(2S,4S)-N-(cyclopentylmethyl)-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120628237
3-amino-N-cyclooctyl-N-methylcyclopentane-1-carboxamide
CID 119763854
N-cyclobutyl-N-methylazetidine-2-carboxamide
CID 130908967
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
N-cyclohexyl-N,3-dimethylpiperidine-2-carboxamide
CID 62339784
(2S)-N-cyclohexyl-N-methylpyrrolidine-2-carboxamide
CID 23520170

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide (CID 120619148) is (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide is C[C@H]1C[C@@H](C(=O)N(C)C2CCCCCC2)CCN1.
What is the InChIKey of (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide?
The InChIKey is AAHBFANRVBSMBN-STQMWFEESA-N. The full InChI is InChI=1S/C15H28N2O/c1-12-11-13(9-10-16-12)15(18)17(2)14-7-5-3-4-6-8-14/h12-14,16H,3-11H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide?
(2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-cycloheptyl-N,2-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 120619148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).