[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone

C17H22ClN3O2 — CID 119410324

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
SMILESN[C@@H]1CCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C17H22ClN3O2/c18-14-5-3-12(4-6-14)16(22)20-8-1-2-13(10-20)17(23)21-9-7-15(19)11-21/h3-6,13,15H,1-2,7-11,19H2/t13?,15-/m1/s1
InChIKeyBYLIMZDTQDENIC-AWKYBWMHSA-N
MW335.84 g/mol
LogP1.75
Rot. Bonds2

About [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone (PubChem CID 119410324) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
PubChem CID119410324
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
SMILESN[C@@H]1CCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1
InChIInChI=1S/C17H22ClN3O2/c18-14-5-3-12(4-6-14)16(22)20-8-1-2-13(10-20)17(23)21-9-7-15(19)11-21/h3-6,13,15H,1-2,7-11,19H2/t13?,15-/m1/s1
InChIKeyBYLIMZDTQDENIC-AWKYBWMHSA-N
XLogP1.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 119412708
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
[1-(4-chlorobenzoyl)piperidin-3-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 42908642
(4-aminopiperidin-1-yl)-[1-(4-fluorobenzoyl)piperidin-3-yl]methanone
CID 119372894
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone
CID 120658106
[1-(4-chlorobenzoyl)piperidin-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 78769153
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120658105
ethyl 1-[1-(4-chlorobenzoyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17119264
1-(4-chlorobenzoyl)-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42943350
[(3R)-1-(4-chlorobenzoyl)piperidin-3-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone
CID 8004058
[(3S)-1-(4-chlorobenzoyl)piperidin-3-yl]-[(2S)-2-phenylpyrrolidin-1-yl]methanone
CID 32820227

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone (CID 119410324) is [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone is N[C@@H]1CCN(C(=O)C2CCCN(C(=O)c3ccc(Cl)cc3)C2)C1.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone?
The InChIKey is BYLIMZDTQDENIC-AWKYBWMHSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c18-14-5-3-12(4-6-14)16(22)20-8-1-2-13(10-20)17(23)21-9-7-15(19)11-21/h3-6,13,15H,1-2,7-11,19H2/t13?,15-/m1/s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone?
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone has a molecular weight of 335.84 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorobenzoyl)piperidin-3-yl]methanone is sourced from PubChem (CID 119410324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).