(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone

C18H22ClN3O — CID 122421137

IUPAC(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1C1CCNC1
InChIInChI=1S/C18H22ClN3O/c19-14-4-5-15-13(9-14)10-16(21-15)18(23)22-8-2-1-3-17(22)12-6-7-20-11-12/h4-5,9-10,12,17,20-21H,1-3,6-8,11H2
InChIKeyQYYNRJDFQJKXSU-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.43
Rot. Bonds2

About (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone

(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone (PubChem CID 122421137) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone
PubChem CID122421137
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone
SMILESO=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1C1CCNC1
InChIInChI=1S/C18H22ClN3O/c19-14-4-5-15-13(9-14)10-16(21-15)18(23)22-8-2-1-3-17(22)12-6-7-20-11-12/h4-5,9-10,12,17,20-21H,1-3,6-8,11H2
InChIKeyQYYNRJDFQJKXSU-UHFFFAOYSA-N
XLogP3.43
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-1H-indol-2-yl)-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95270014
(5-chloro-1H-indol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 91649902
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-chloro-1H-indol-2-yl)methanone
CID 58646827
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-(2,4-dichlorophenyl)methanone
CID 43594594
N-(1,3-benzothiazol-2-yl)-1-(5-chloro-1H-indole-2-carbonyl)pyrrolidine-2-carboxamide
CID 86945118
5-chloro-1H-indole-2-carboxylic acid;ethane
CID 143173847
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33367407
1-(1H-indole-2-carbonyl)piperidine-2-carboxylic acid
CID 43187100
5-chloro-N-cyclopropyl-1H-indole-2-carboxamide
CID 53016250
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone (CID 122421137) is (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone is O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCCC1C1CCNC1.
What is the InChIKey of (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone?
The InChIKey is QYYNRJDFQJKXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c19-14-4-5-15-13(9-14)10-16(21-15)18(23)22-8-2-1-3-17(22)12-6-7-20-11-12/h4-5,9-10,12,17,20-21H,1-3,6-8,11H2.
What are the key properties of (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone?
(5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone has a molecular weight of 331.85 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indol-2-yl)-(2-pyrrolidin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 122421137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).