(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide

C25H27N3O3 — CID 41118360

IUPAC(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C25H27N3O3/c1-17(29)18-6-4-8-21(14-18)27-25(31)20-7-5-13-28(16-20)24(30)12-11-19-15-26-23-10-3-2-9-22(19)23/h2-4,6,8-10,14-15,20,26H,5,7,11-13,16H2,1H3,(H,27,31)/t20-/m1/s1
InChIKeyNERCZFSXGJAGKB-HXUWFJFHSA-N
MW417.51 g/mol
LogP4.18
Rot. Bonds6

About (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide

(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 41118360) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
PubChem CID41118360
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1
InChIInChI=1S/C25H27N3O3/c1-17(29)18-6-4-8-21(14-18)27-25(31)20-7-5-13-28(16-20)24(30)12-11-19-15-26-23-10-3-2-9-22(19)23/h2-4,6,8-10,14-15,20,26H,5,7,11-13,16H2,1H3,(H,27,31)/t20-/m1/s1
InChIKeyNERCZFSXGJAGKB-HXUWFJFHSA-N
XLogP4.18
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41130807
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41111390
(3R)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816516
(3S)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816519
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
N-(3-acetylphenyl)-1-(naphthalen-1-ylmethyl)piperidine-3-carboxamide
CID 43924471
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide (CID 41118360) is (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide is CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCc3c[nH]c4ccccc34)C2)c1.
What is the InChIKey of (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is NERCZFSXGJAGKB-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-17(29)18-6-4-8-21(14-18)27-25(31)20-7-5-13-28(16-20)24(30)12-11-19-15-26-23-10-3-2-9-22(19)23/h2-4,6,8-10,14-15,20,26H,5,7,11-13,16H2,1H3,(H,27,31)/t20-/m1/s1.
What are the key properties of (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 41118360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).