N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

C28H29N3O — CID 46882874

IUPACN-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1
InChIInChI=1S/C28H29N3O/c1-28(25-6-3-2-4-7-25)15-5-17-31(20-28)27(32)30-19-21-8-10-22(11-9-21)23-12-13-26-24(18-23)14-16-29-26/h2-4,6-14,16,18,29H,5,15,17,19-20H2,1H3,(H,30,32)
InChIKeyHIQKQNMARNQIET-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.10
Rot. Bonds4

About N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide

N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (PubChem CID 46882874) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
PubChem CID46882874
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC NameN-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
SMILESCC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1
InChIInChI=1S/C28H29N3O/c1-28(25-6-3-2-4-7-25)15-5-17-31(20-28)27(32)30-19-21-8-10-22(11-9-21)23-12-13-26-24(18-23)14-16-29-26/h2-4,6-14,16,18,29H,5,15,17,19-20H2,1H3,(H,30,32)
InChIKeyHIQKQNMARNQIET-UHFFFAOYSA-N
XLogP6.10
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide (CID 46882874) is N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is CC1(c2ccccc2)CCCN(C(=O)NCc2ccc(-c3ccc4[nH]ccc4c3)cc2)C1.
What is the InChIKey of N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
The InChIKey is HIQKQNMARNQIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c1-28(25-6-3-2-4-7-25)15-5-17-31(20-28)27(32)30-19-21-8-10-22(11-9-21)23-12-13-26-24(18-23)14-16-29-26/h2-4,6-14,16,18,29H,5,15,17,19-20H2,1H3,(H,30,32).
What are the key properties of N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide?
N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 6.10, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1H-indol-5-yl)phenyl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).