(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

C23H27ClN2O — CID 92991583

IUPAC(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1C[C@H](CN2CCCCC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H27ClN2O/c24-22-12-6-5-11-20(22)23(27)26-16-19(15-25-13-7-2-8-14-25)21(17-26)18-9-3-1-4-10-18/h1,3-6,9-12,19,21H,2,7-8,13-17H2/t19-,21-/m0/s1
InChIKeyJZZWYTWRABQGQS-FPOVZHCZSA-N
MW382.94 g/mol
LogP4.68
Rot. Bonds4

About (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone

(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 92991583) has the molecular formula C23H27ClN2O and a molecular weight of 382.94 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID92991583
Molecular FormulaC23H27ClN2O
Molecular Weight382.94 g/mol
Exact Mass382.18
IUPAC Name(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1C[C@H](CN2CCCCC2)[C@H](c2ccccc2)C1
InChIInChI=1S/C23H27ClN2O/c24-22-12-6-5-11-20(22)23(27)26-16-19(15-25-13-7-2-8-14-25)21(17-26)18-9-3-1-4-10-18/h1,3-6,9-12,19,21H,2,7-8,13-17H2/t19-,21-/m0/s1
InChIKeyJZZWYTWRABQGQS-FPOVZHCZSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.94
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 42825796
[3-[(4-benzylpiperazin-1-yl)methyl]-4-phenylpyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 70200614
methyl 3-oxo-3-[3-phenyl-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propanoate
CID 42863641
3-methyl-1-[(3S,4R)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one
CID 92991594
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 70272512
1H-indol-4-yl-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70204070
(4-fluorophenyl)-[3-(4-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 42863664
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 120742858
(4-fluoronaphthalen-1-yl)-[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 70203335
(2R)-2-cyclohexyl-2-[(3S,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]acetic acid
CID 20664167
[3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 70203150
furan-2-yl-[3-(4-methylphenyl)-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 83277667

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 92991583) is (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1ccccc1Cl)N1C[C@H](CN2CCCCC2)[C@H](c2ccccc2)C1.
What is the InChIKey of (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is JZZWYTWRABQGQS-FPOVZHCZSA-N. The full InChI is InChI=1S/C23H27ClN2O/c24-22-12-6-5-11-20(22)23(27)26-16-19(15-25-13-7-2-8-14-25)21(17-26)18-9-3-1-4-10-18/h1,3-6,9-12,19,21H,2,7-8,13-17H2/t19-,21-/m0/s1.
What are the key properties of (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone?
(2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 382.94 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3R,4S)-3-phenyl-4-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 92991583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).