[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

C22H21ClN2O3 — CID 33367407

IUPAC[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H21ClN2O3/c1-28-18-5-2-14(3-6-18)21(26)15-8-10-25(11-9-15)22(27)20-13-16-12-17(23)4-7-19(16)24-20/h2-7,12-13,15,24H,8-11H2,1H3
InChIKeyWDTMKIPFSCVBSO-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.57
Rot. Bonds4

About [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 33367407) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID33367407
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1
InChIInChI=1S/C22H21ClN2O3/c1-28-18-5-2-14(3-6-18)21(26)15-8-10-25(11-9-15)22(27)20-13-16-12-17(23)4-7-19(16)24-20/h2-7,12-13,15,24H,8-11H2,1H3
InChIKeyWDTMKIPFSCVBSO-UHFFFAOYSA-N
XLogP4.57
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-[1-(6-methoxy-1H-indole-2-carbonyl)piperidin-4-yl]methanone
CID 55957029
[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33366935
(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-hydroxy-5-(3-methoxyphenoxy)azepan-1-yl]methanone
CID 110164573
(5-chloro-1H-indol-2-yl)-pyrrolidin-1-ylmethanone
CID 3661150
(5-chloro-1H-indol-2-yl)-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 122421163
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
[4-(4-chlorophenoxy)piperidin-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone
CID 67170444
N-(5-chloro-2-hydroxyphenyl)-1-(6-methoxy-1H-indole-2-carbonyl)piperidine-4-carboxamide
CID 154749753
(5-chloro-1H-indol-2-yl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 86889363
(5-chloro-1H-indol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3972918
(3,4-dimethylphenyl)-[4-(5-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53013211
(5-chloro-1H-indol-2-yl)-[(4S,5S)-4-(2-fluorophenoxy)-5-hydroxyazepan-1-yl]methanone
CID 110164518

Frequently Asked Questions

What is the IUPAC name of [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 33367407) is [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.
What is the InChIKey of [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is WDTMKIPFSCVBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-28-18-5-2-14(3-6-18)21(26)15-8-10-25(11-9-15)22(27)20-13-16-12-17(23)4-7-19(16)24-20/h2-7,12-13,15,24H,8-11H2,1H3.
What are the key properties of [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 396.87 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 33367407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).