3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide

C20H20ClN3O — CID 113088846

IUPAC3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C20H20ClN3O/c21-16-8-9-18-15(11-16)12-19(23-18)14-5-4-10-24(13-14)20(25)22-17-6-2-1-3-7-17/h1-3,6-9,11-12,14,23H,4-5,10,13H2,(H,22,25)
InChIKeyAQWPJMYZZUDFCE-UHFFFAOYSA-N
MW353.85 g/mol
LogP5.23
Rot. Bonds2

About 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide

3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide (PubChem CID 113088846) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
PubChem CID113088846
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C20H20ClN3O/c21-16-8-9-18-15(11-16)12-19(23-18)14-5-4-10-24(13-14)20(25)22-17-6-2-1-3-7-17/h1-3,6-9,11-12,14,23H,4-5,10,13H2,(H,22,25)
InChIKeyAQWPJMYZZUDFCE-UHFFFAOYSA-N
XLogP5.23
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.85
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088842
N-(3-chlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 17392993
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 42760859
1-[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 84582617
1-[3-(1H-indol-2-yl)piperidin-1-yl]propan-1-one
CID 113088531
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 84580369

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide (CID 113088846) is 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1.
What is the InChIKey of 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is AQWPJMYZZUDFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-16-8-9-18-15(11-16)12-19(23-18)14-5-4-10-24(13-14)20(25)22-17-6-2-1-3-7-17/h1-3,6-9,11-12,14,23H,4-5,10,13H2,(H,22,25).
What are the key properties of 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide?
3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 113088846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).