3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

C19H21ClN4O — CID 126774614

IUPAC3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ccc2cc(Cl)ccc21)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C19H21ClN4O/c20-15-4-5-16-14(13-15)6-11-23(16)12-7-18(25)24-10-2-1-3-17(24)19-21-8-9-22-19/h4-6,8-9,11,13,17H,1-3,7,10,12H2,(H,21,22)
InChIKeyNEUGNNXENKCEFR-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.16
Rot. Bonds4

About 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one

3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 126774614) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID126774614
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
SMILESO=C(CCn1ccc2cc(Cl)ccc21)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C19H21ClN4O/c20-15-4-5-16-14(13-15)6-11-23(16)12-7-18(25)24-10-2-1-3-17(24)19-21-8-9-22-19/h4-6,8-9,11,13,17H,1-3,7,10,12H2,(H,21,22)
InChIKeyNEUGNNXENKCEFR-UHFFFAOYSA-N
XLogP4.16
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenoxy)-1-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97255879
4-[1-[3-(5-chloroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide;4-pyrrolidin-2-yl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 159856807
3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one
CID 16659683
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 47089015
2-(2-ethylbenzimidazol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 138993183
methyl N-[2-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 144971063
1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 31791984
2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 71969302
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one (CID 126774614) is 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is O=C(CCn1ccc2cc(Cl)ccc21)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is NEUGNNXENKCEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c20-15-4-5-16-14(13-15)6-11-23(16)12-7-18(25)24-10-2-1-3-17(24)19-21-8-9-22-19/h4-6,8-9,11,13,17H,1-3,7,10,12H2,(H,21,22).
What are the key properties of 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one?
3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 356.86 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)-1-[2-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 126774614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).