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

C22H22ClN3O2 — CID 113007151

IUPACN-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H22ClN3O2/c23-17-4-3-5-18(13-17)25-22(28)15-8-10-26(11-9-15)21(27)12-16-14-24-20-7-2-1-6-19(16)20/h1-7,13-15,24H,8-12H2,(H,25,28)
InChIKeyBOEACLQDITZVAS-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.24
Rot. Bonds4

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

N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide (PubChem CID 113007151) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
PubChem CID113007151
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC NameN-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C22H22ClN3O2/c23-17-4-3-5-18(13-17)25-22(28)15-8-10-26(11-9-15)21(27)12-16-14-24-20-7-2-1-6-19(16)20/h1-7,13-15,24H,8-12H2,(H,25,28)
InChIKeyBOEACLQDITZVAS-UHFFFAOYSA-N
XLogP4.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1H-indol-3-yl)acetyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007464
(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41130807
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-(3-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397486
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
N-[3-(dimethylamino)propyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113003574
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 113088197
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
methyl 4-[(3-chlorophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754183
2-(1H-indol-3-yl)-1-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 113003641
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide (CID 113007151) is N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
The InChIKey is BOEACLQDITZVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c23-17-4-3-5-18(13-17)25-22(28)15-8-10-26(11-9-15)21(27)12-16-14-24-20-7-2-1-6-19(16)20/h1-7,13-15,24H,8-12H2,(H,25,28).
What are the key properties of N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide?
N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 113007151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).