[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone

C21H31N3O — CID 42460035

IUPAC[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(N1CCC[C@@H](Nc2ccccc2)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C21H31N3O/c25-20(21(12-4-5-13-21)24-15-6-7-16-24)23-14-8-11-19(17-23)22-18-9-2-1-3-10-18/h1-3,9-10,19,22H,4-8,11-17H2/t19-/m1/s1
InChIKeySYNGXBRYMRBAED-LJQANCHMSA-N
MW341.50 g/mol
LogP3.50
Rot. Bonds4

About [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone

[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone (PubChem CID 42460035) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone.

Molecular Properties

Compound Name[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
PubChem CID42460035
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC Name[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone
SMILESO=C(N1CCC[C@@H](Nc2ccccc2)C1)C1(N2CCCC2)CCCC1
InChIInChI=1S/C21H31N3O/c25-20(21(12-4-5-13-21)24-15-6-7-16-24)23-14-8-11-19(17-23)22-18-9-2-1-3-10-18/h1-3,9-10,19,22H,4-8,11-17H2/t19-/m1/s1
InChIKeySYNGXBRYMRBAED-LJQANCHMSA-N
XLogP3.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzoylpiperidin-3-yl)-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
CID 131942557
(4-methyl-3-phenylpiperazin-1-yl)-(1-pyrrolidin-1-ylcyclopentyl)methanone
CID 77086044
(1-pyrrolidin-1-ylcyclopentyl)-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 131923801
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
1-(3-anilinopiperidin-1-yl)-2-cyclopropylpropan-1-one
CID 136516150
1-(3-anilinopiperidin-1-yl)-2-(methylamino)ethanone;hydrochloride
CID 120705047
(3R)-3-anilino-N-[[1-[(S)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 125140514
6-(3-anilinopiperidin-1-yl)pyridine-2-carboxylic acid
CID 122054364
(3-anilinopyrrolidin-1-yl)-cyclopropylmethanone
CID 134813424
4-(3-anilinopiperidine-1-carbonyl)-N,N-dimethylpiperidine-1-carboxamide
CID 45219648
[(3S)-3-anilinopiperidin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 97082738
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The IUPAC name of [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone (CID 42460035) is [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone.
What is the SMILES notation for [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The canonical SMILES for [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone is O=C(N1CCC[C@@H](Nc2ccccc2)C1)C1(N2CCCC2)CCCC1.
What is the InChIKey of [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone?
The InChIKey is SYNGXBRYMRBAED-LJQANCHMSA-N. The full InChI is InChI=1S/C21H31N3O/c25-20(21(12-4-5-13-21)24-15-6-7-16-24)23-14-8-11-19(17-23)22-18-9-2-1-3-10-18/h1-3,9-10,19,22H,4-8,11-17H2/t19-/m1/s1.
What are the key properties of [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone?
[(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone has a molecular weight of 341.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-anilinopiperidin-1-yl]-(1-pyrrolidin-1-ylcyclopentyl)methanone is sourced from PubChem (CID 42460035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).