(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide

C21H35N3O3 — CID 95231715

IUPAC(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESCC(=O)N[C@@H](C(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1)C1CCCC1
InChIInChI=1S/C21H35N3O3/c1-15(25)22-19(16-8-5-6-9-16)21(27)24-13-7-10-17(14-24)20(26)23-18-11-3-2-4-12-18/h16-19H,2-14H2,1H3,(H,22,25)(H,23,26)/t17-,19-/m1/s1
InChIKeyFIFTVROPUIZDGN-IEBWSBKVSA-N
MW377.53 g/mol
LogP2.37
Rot. Bonds5

About (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide

(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide (PubChem CID 95231715) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
PubChem CID95231715
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC Name(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide
SMILESCC(=O)N[C@@H](C(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1)C1CCCC1
InChIInChI=1S/C21H35N3O3/c1-15(25)22-19(16-8-5-6-9-16)21(27)24-13-7-10-17(14-24)20(26)23-18-11-3-2-4-12-18/h16-19H,2-14H2,1H3,(H,22,25)(H,23,26)/t17-,19-/m1/s1
InChIKeyFIFTVROPUIZDGN-IEBWSBKVSA-N
XLogP2.37
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide with MolForge

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Related Compounds

N-[(1R)-1-cyclopentyl-2-[(3S)-3-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95133490
3-N-cyclohexyl-1-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 51055483
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356
(2S)-2-acetamido-N-cyclooctyl-2-cyclopentylacetamide
CID 94491136
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
N-[2-[(3R)-3-aminopyrrolidin-1-yl]-1-cyclopentyl-2-oxoethyl]acetamide;hydrochloride
CID 119409783
N-[(1R)-1-cyclopentyl-2-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95327472
3-N-cyclooctyl-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 166212919
N-[(1S)-1-cyclopentyl-2-oxo-2-[(4R)-4-propylazepan-1-yl]ethyl]acetamide
CID 97027395
N-[(1R)-1-cyclopentyl-2-[(3S)-3-(2-ethylimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95978600
N-[(1S)-1-cyclopentyl-2-[(3S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-2-oxoethyl]acetamide
CID 95736974
3-N-cyclopropyl-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 60756437

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide (CID 95231715) is (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide is CC(=O)N[C@@H](C(=O)N1CCC[C@@H](C(=O)NC2CCCCC2)C1)C1CCCC1.
What is the InChIKey of (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide?
The InChIKey is FIFTVROPUIZDGN-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-15(25)22-19(16-8-5-6-9-16)21(27)24-13-7-10-17(14-24)20(26)23-18-11-3-2-4-12-18/h16-19H,2-14H2,1H3,(H,22,25)(H,23,26)/t17-,19-/m1/s1.
What are the key properties of (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide?
(3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-2-acetamido-2-cyclopentylacetyl]-N-cyclohexylpiperidine-3-carboxamide is sourced from PubChem (CID 95231715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).