(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C22H26N2O — CID 25031425

IUPAC(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2)cc1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C22H26N2O/c25-22(24-15-12-21(17-24)23-13-4-5-14-23)20-10-8-19(9-11-20)16-18-6-2-1-3-7-18/h1-3,6-11,21H,4-5,12-17H2/t21-/m0/s1
InChIKeyNKJNVVMJEBRTDJ-NRFANRHFSA-N
MW334.46 g/mol
LogP3.59
Rot. Bonds4

About (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 25031425) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID25031425
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Cc2ccccc2)cc1)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C22H26N2O/c25-22(24-15-12-21(17-24)23-13-4-5-14-23)20-10-8-19(9-11-20)16-18-6-2-1-3-7-18/h1-3,6-11,21H,4-5,12-17H2/t21-/m0/s1
InChIKeyNKJNVVMJEBRTDJ-NRFANRHFSA-N
XLogP3.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-benzylphenyl)-(3,4-dihydroxypiperidin-1-yl)methanone
CID 171558301
[4-(1H-benzimidazol-2-ylmethyl)phenyl]-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 25031337
(4-iodophenyl)-(3-piperidin-1-ylpyrrolidin-1-yl)methanone
CID 63524427
(3-pyrrolidin-1-ylpyrrolidin-1-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 110441029
[3-(aminomethyl)phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63168351
ethane;[4-[(1-phenylsulfanylbenzimidazol-2-yl)methyl]phenyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 143543936
[4-(aminomethyl)phenyl]-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methanone
CID 60947643
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
2-amino-3-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63166900
(3-methylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110441496

Frequently Asked Questions

What is the IUPAC name of (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 25031425) is (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is O=C(c1ccc(Cc2ccccc2)cc1)N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is NKJNVVMJEBRTDJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H26N2O/c25-22(24-15-12-21(17-24)23-13-4-5-14-23)20-10-8-19(9-11-20)16-18-6-2-1-3-7-18/h1-3,6-11,21H,4-5,12-17H2/t21-/m0/s1.
What are the key properties of (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
(4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 334.46 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylphenyl)-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 25031425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).