1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide

C25H28ClN3O — CID 44522265

IUPAC1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClN3O/c26-21-7-5-18(6-8-21)16-29-23(15-20-3-1-2-4-24(20)29)17-28-13-11-19(12-14-28)25(30)27-22-9-10-22/h1-8,15,19,22H,9-14,16-17H2,(H,27,30)
InChIKeyJGFVCKJMKMFIHE-UHFFFAOYSA-N
MW421.97 g/mol
LogP4.83
Rot. Bonds6

About 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide

1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 44522265) has the molecular formula C25H28ClN3O and a molecular weight of 421.97 g/mol. Its IUPAC name is 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID44522265
Molecular FormulaC25H28ClN3O
Molecular Weight421.97 g/mol
Exact Mass421.19
IUPAC Name1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESO=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H28ClN3O/c26-21-7-5-18(6-8-21)16-29-23(15-20-3-1-2-4-24(20)29)17-28-13-11-19(12-14-28)25(30)27-22-9-10-22/h1-8,15,19,22H,9-14,16-17H2,(H,27,30)
InChIKeyJGFVCKJMKMFIHE-UHFFFAOYSA-N
XLogP4.83
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.97
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide (CID 44522265) is 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide is O=C(NC1CC1)C1CCN(Cc2cc3ccccc3n2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is JGFVCKJMKMFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O/c26-21-7-5-18(6-8-21)16-29-23(15-20-3-1-2-4-24(20)29)17-28-13-11-19(12-14-28)25(30)27-22-9-10-22/h1-8,15,19,22H,9-14,16-17H2,(H,27,30).
What are the key properties of 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 421.97 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-chlorophenyl)methyl]indol-2-yl]methyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 44522265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).