3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide

C24H28N4O2 — CID 45251005

IUPAC3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cc(CNC(=O)C2CCCN(C(N)=O)C2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C24H28N4O2/c1-15-11-19(13-26-23(29)18-9-6-10-28(14-18)24(25)30)22-20(12-15)16(2)21(27-22)17-7-4-3-5-8-17/h3-5,7-8,11-12,18,27H,6,9-10,13-14H2,1-2H3,(H2,25,30)(H,26,29)
InChIKeyNILLKUNUHFCTAZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.86
Rot. Bonds4

About 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide

3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 45251005) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID45251005
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cc(CNC(=O)C2CCCN(C(N)=O)C2)c2[nH]c(-c3ccccc3)c(C)c2c1
InChIInChI=1S/C24H28N4O2/c1-15-11-19(13-26-23(29)18-9-6-10-28(14-18)24(25)30)22-20(12-15)16(2)21(27-22)17-7-4-3-5-8-17/h3-5,7-8,11-12,18,27H,6,9-10,13-14H2,1-2H3,(H2,25,30)(H,26,29)
InChIKeyNILLKUNUHFCTAZ-UHFFFAOYSA-N
XLogP3.86
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-[(2R)-5-oxopyrrolidin-2-yl]acetamide
CID 26330947
(2S)-N-[(5-chloro-3-methyl-2-phenyl-1H-indol-7-yl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 25395725
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354
(2R)-1-methylsulfonyl-N-[(2,3,5-trimethyl-1H-indol-7-yl)methyl]pyrrolidine-2-carboxamide
CID 95502882
(3R)-3-N-[(2-chloro-4-fluorophenyl)methyl]piperidine-1,3-dicarboxamide
CID 97116009
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 97153155
(3S)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 95990180
(3S)-3-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]piperidine-1,3-dicarboxamide
CID 8944646
3-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 70731830
(3R)-3-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-1,3-dicarboxamide
CID 97126070
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide (CID 45251005) is 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide is Cc1cc(CNC(=O)C2CCCN(C(N)=O)C2)c2[nH]c(-c3ccccc3)c(C)c2c1.
What is the InChIKey of 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is NILLKUNUHFCTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-11-19(13-26-23(29)18-9-6-10-28(14-18)24(25)30)22-20(12-15)16(2)21(27-22)17-7-4-3-5-8-17/h3-5,7-8,11-12,18,27H,6,9-10,13-14H2,1-2H3,(H2,25,30)(H,26,29).
What are the key properties of 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide?
3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 404.51 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 45251005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).