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

C23H25N3O3 — CID 113007464

IUPAC1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O3/c1-29-19-6-4-5-18(14-19)25-23(28)16-9-11-26(12-10-16)22(27)13-17-15-24-21-8-3-2-7-20(17)21/h2-8,14-16,24H,9-13H2,1H3,(H,25,28)
InChIKeyOVQRGPLTVHODPA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.60
Rot. Bonds5

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

1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 113007464) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID113007464
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1
InChIInChI=1S/C23H25N3O3/c1-29-19-6-4-5-18(14-19)25-23(28)16-9-11-26(12-10-16)22(27)13-17-15-24-21-8-3-2-7-20(17)21/h2-8,14-16,24H,9-13H2,1H3,(H,25,28)
InChIKeyOVQRGPLTVHODPA-UHFFFAOYSA-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-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113007151
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113008816
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 42649593
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
2-(1H-indol-3-yl)-1-[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810020
N-[3-(dimethylamino)propyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003574
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
N-(3-methoxyphenyl)-1-[1-(naphthalene-1-carbonyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42881516
4-[4-(1H-indol-3-yl)butanoyl]-N-[1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 73257844
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 113007464) is 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)c1.
What is the InChIKey of 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is OVQRGPLTVHODPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-29-19-6-4-5-18(14-19)25-23(28)16-9-11-26(12-10-16)22(27)13-17-15-24-21-8-3-2-7-20(17)21/h2-8,14-16,24H,9-13H2,1H3,(H,25,28).
What are the key properties of 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-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 1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 113007464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).