(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide

C23H25N3O3 — CID 41111619

IUPAC(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C23H25N3O3/c1-29-19-10-8-18(9-11-19)25-23(28)16-5-4-12-26(15-16)22(27)13-17-14-24-21-7-3-2-6-20(17)21/h2-3,6-11,14,16,24H,4-5,12-13,15H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyDWWRDGHJBYWWCF-INIZCTEOSA-N
MW391.47 g/mol
LogP3.60
Rot. Bonds5

About (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide

(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 41111619) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
PubChem CID41111619
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1
InChIInChI=1S/C23H25N3O3/c1-29-19-10-8-18(9-11-19)25-23(28)16-5-4-12-26(15-16)22(27)13-17-14-24-21-7-3-2-6-20(17)21/h2-3,6-11,14,16,24H,4-5,12-13,15H2,1H3,(H,25,28)/t16-/m0/s1
InChIKeyDWWRDGHJBYWWCF-INIZCTEOSA-N
XLogP3.60
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 42649593
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41118360
(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41130807
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41111390

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide (CID 41111619) is (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)cc1.
What is the InChIKey of (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is DWWRDGHJBYWWCF-INIZCTEOSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-19-10-8-18(9-11-19)25-23(28)16-5-4-12-26(15-16)22(27)13-17-14-24-21-7-3-2-6-20(17)21/h2-3,6-11,14,16,24H,4-5,12-13,15H2,1H3,(H,25,28)/t16-/m0/s1.
What are the key properties of (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide?
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 41111619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).