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

C23H22N4O2 — CID 113008816

IUPACN-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4O2/c24-14-16-5-7-19(8-6-16)26-23(29)17-9-11-27(12-10-17)22(28)13-18-15-25-21-4-2-1-3-20(18)21/h1-8,15,17,25H,9-13H2,(H,26,29)
InChIKeyFZQAZZQUSNLEON-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.46
Rot. Bonds4

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

N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 113008816) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID113008816
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C23H22N4O2/c24-14-16-5-7-19(8-6-16)26-23(29)17-9-11-27(12-10-17)22(28)13-18-15-25-21-4-2-1-3-20(18)21/h1-8,15,17,25H,9-13H2,(H,26,29)
InChIKeyFZQAZZQUSNLEON-UHFFFAOYSA-N
XLogP3.46
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.46
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
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948
N-[2-(dimethylamino)ethyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003443
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
1-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113003701
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
N-[3-(dimethylamino)propyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003574
N-[2-(4-cyanoanilino)-2-oxoethyl]-2-(1H-indol-3-yl)acetamide
CID 113002030
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110806405

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide (CID 113008816) is N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide is N#Cc1ccc(NC(=O)C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is FZQAZZQUSNLEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c24-14-16-5-7-19(8-6-16)26-23(29)17-9-11-27(12-10-17)22(28)13-18-15-25-21-4-2-1-3-20(18)21/h1-8,15,17,25H,9-13H2,(H,26,29).
What are the key properties of N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113008816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).