[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone

C32H32ClN3O2 — CID 66571627

IUPAC[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCC2c2ccccc2)CC1
InChIInChI=1S/C32H32ClN3O2/c33-27-14-12-23(13-15-27)22-36-29-10-5-4-9-26(29)21-30(36)32(38)34-19-16-25(17-20-34)31(37)35-18-6-11-28(35)24-7-2-1-3-8-24/h1-5,7-10,12-15,21,25,28H,6,11,16-20,22H2
InChIKeyKJTZWQJVXRGULF-UHFFFAOYSA-N
MW526.08 g/mol
LogP6.56
Rot. Bonds5

About [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone

[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 66571627) has the molecular formula C32H32ClN3O2 and a molecular weight of 526.08 g/mol. Its IUPAC name is [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID66571627
Molecular FormulaC32H32ClN3O2
Molecular Weight526.08 g/mol
Exact Mass525.22
IUPAC Name[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCC2c2ccccc2)CC1
InChIInChI=1S/C32H32ClN3O2/c33-27-14-12-23(13-15-27)22-36-29-10-5-4-9-26(29)21-30(36)32(38)34-19-16-25(17-20-34)31(37)35-18-6-11-28(35)24-7-2-1-3-8-24/h1-5,7-10,12-15,21,25,28H,6,11,16-20,22H2
InChIKeyKJTZWQJVXRGULF-UHFFFAOYSA-N
XLogP6.56
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.08
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone (CID 66571627) is [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1cc2ccccc2n1Cc1ccc(Cl)cc1)N1CCC(C(=O)N2CCCC2c2ccccc2)CC1.
What is the InChIKey of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is KJTZWQJVXRGULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32ClN3O2/c33-27-14-12-23(13-15-27)22-36-29-10-5-4-9-26(29)21-30(36)32(38)34-19-16-25(17-20-34)31(37)35-18-6-11-28(35)24-7-2-1-3-8-24/h1-5,7-10,12-15,21,25,28H,6,11,16-20,22H2.
What are the key properties of [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone?
[1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 526.08 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(4-chlorophenyl)methyl]indole-2-carbonyl]piperidin-4-yl]-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 66571627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).