[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone

C21H26N4O — CID 96573836

IUPAC[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H26N4O/c1-16-22-11-14-24(16)13-10-17-7-5-6-12-25(17)21(26)19-15-23(2)20-9-4-3-8-18(19)20/h3-4,8-9,11,14-15,17H,5-7,10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyFICHFQOCGNOVKH-KRWDZBQOSA-N
MW350.47 g/mol
LogP3.77
Rot. Bonds4

About [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone

[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone (PubChem CID 96573836) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
PubChem CID96573836
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C21H26N4O/c1-16-22-11-14-24(16)13-10-17-7-5-6-12-25(17)21(26)19-15-23(2)20-9-4-3-8-18(19)20/h3-4,8-9,11,14-15,17H,5-7,10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyFICHFQOCGNOVKH-KRWDZBQOSA-N
XLogP3.77
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
2-methyl-6-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carbonyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98277148
[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821
[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574820
3-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 94612882
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
CID 126448080
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 125174346
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 97281863
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118215
1-[2-(1-methylpiperidin-2-yl)ethyl]indole-3-carboxylic acid
CID 67255296

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The IUPAC name of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone (CID 96573836) is [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone is Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1cn(C)c2ccccc12.
What is the InChIKey of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
The InChIKey is FICHFQOCGNOVKH-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H26N4O/c1-16-22-11-14-24(16)13-10-17-7-5-6-12-25(17)21(26)19-15-23(2)20-9-4-3-8-18(19)20/h3-4,8-9,11,14-15,17H,5-7,10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone?
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone has a molecular weight of 350.47 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 96573836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).