(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone

C21H22N2O — CID 18711813

IUPAC(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H22N2O/c1-16-8-7-13-23(16)21(24)19-15-22(14-17-9-3-2-4-10-17)20-12-6-5-11-18(19)20/h2-6,9-12,15-16H,7-8,13-14H2,1H3
InChIKeyLTLWHZRPNAYOSP-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.31
Rot. Bonds3

About (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone

(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 18711813) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID18711813
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C21H22N2O/c1-16-8-7-13-23(16)21(24)19-15-22(14-17-9-3-2-4-10-17)20-12-6-5-11-18(19)20/h2-6,9-12,15-16H,7-8,13-14H2,1H3
InChIKeyLTLWHZRPNAYOSP-UHFFFAOYSA-N
XLogP4.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-benzylindol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110883917
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404
(1-benzylindol-3-yl)-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 30662185
2-[1-(1-benzylindole-3-carbonyl)piperidin-4-yl]acetic acid
CID 119177873
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylindol-3-yl)methanone
CID 166240989
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
(3R,4R)-1-(1-benzylindole-3-carbonyl)-4-cyclopropylpyrrolidine-3-carboxylic acid
CID 120979581
(1-benzylindol-3-yl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56532971
1-(2-methylpiperidin-1-yl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]ethane-1,2-dione
CID 18562371
(1-methylpiperidin-2-yl)methyl 1-benzylindole-3-carboxylate
CID 19891962
[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-prop-2-enylindol-3-yl)methanone
CID 71886045

Frequently Asked Questions

What is the IUPAC name of (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone (CID 18711813) is (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1cn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is LTLWHZRPNAYOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-16-8-7-13-23(16)21(24)19-15-22(14-17-9-3-2-4-10-17)20-12-6-5-11-18(19)20/h2-6,9-12,15-16H,7-8,13-14H2,1H3.
What are the key properties of (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone?
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 18711813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).