N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

C23H34N2O2 — CID 98681861

IUPACN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H34N2O2/c1-17-7-6-10-21(18(17)2)24-23(27)20-13-15-25(16-14-20)22(26)12-11-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21H,6-7,10-16H2,1-2H3,(H,24,27)/t17-,18+,21+/m1/s1
InChIKeyWUWCTCQCGHHQDQ-LQWHRVPQSA-N
MW370.54 g/mol
LogP3.80
Rot. Bonds5

About N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide

N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (PubChem CID 98681861) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
PubChem CID98681861
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC NameN-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
SMILESC[C@H]1[C@H](C)CCC[C@@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C23H34N2O2/c1-17-7-6-10-21(18(17)2)24-23(27)20-13-15-25(16-14-20)22(26)12-11-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21H,6-7,10-16H2,1-2H3,(H,24,27)/t17-,18+,21+/m1/s1
InChIKeyWUWCTCQCGHHQDQ-LQWHRVPQSA-N
XLogP3.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-benzamidocyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 51071042
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-(3-phenylpropanoyl)piperidine-4-carbohydrazide
CID 54794050
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-phenylpropanoylamino)thiourea
CID 11946125
ethyl N-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]carbamate
CID 46411072
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
(3R)-1-benzyl-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-5-oxopyrrolidine-3-carboxamide
CID 129419133
N-(2,3-dimethylcyclohexyl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134060586
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
1-(3-phenylpropanoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 46411181
N-[2-(methylamino)propyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide;hydrochloride
CID 120832856

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide (CID 98681861) is N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is C[C@H]1[C@H](C)CCC[C@@H]1NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
The InChIKey is WUWCTCQCGHHQDQ-LQWHRVPQSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-17-7-6-10-21(18(17)2)24-23(27)20-13-15-25(16-14-20)22(26)12-11-19-8-4-3-5-9-19/h3-5,8-9,17-18,20-21H,6-7,10-16H2,1-2H3,(H,24,27)/t17-,18+,21+/m1/s1.
What are the key properties of N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide?
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide has a molecular weight of 370.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 98681861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).