2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide

C18H21ClN4O3 — CID 97276088

IUPAC2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1
InChIInChI=1S/C18H21ClN4O3/c1-26-15-5-4-13(19)9-14(15)18(25)23-7-2-3-12(10-23)17-21-6-8-22(17)11-16(20)24/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H2,20,24)/t12-/m0/s1
InChIKeyYUDXMWAZVRINNH-LBPRGKRZSA-N
MW376.84 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97276088) has the molecular formula C18H21ClN4O3 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97276088
Molecular FormulaC18H21ClN4O3
Molecular Weight376.84 g/mol
Exact Mass376.13
IUPAC Name2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1
InChIInChI=1S/C18H21ClN4O3/c1-26-15-5-4-13(19)9-14(15)18(25)23-7-2-3-12(10-23)17-21-6-8-22(17)11-16(20)24/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H2,20,24)/t12-/m0/s1
InChIKeyYUDXMWAZVRINNH-LBPRGKRZSA-N
XLogP2.05
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3S)-1-(5-chloro-2-fluorobenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97273673
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-chloro-2-methoxyphenyl)methanone
CID 97200368
2-[2-[(3R)-1-(2-propoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97280164
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
(4-chloro-2-methylphenyl)-[(3R)-3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97268879
2-[2-[1-(2-pyrrolidin-1-ylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72914128
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
2-[2-[(3R)-1-[5-(methoxymethyl)thiophene-2-carbonyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97275991
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97276088) is 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide is COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1.
What is the InChIKey of 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is YUDXMWAZVRINNH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H21ClN4O3/c1-26-15-5-4-13(19)9-14(15)18(25)23-7-2-3-12(10-23)17-21-6-8-22(17)11-16(20)24/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H2,20,24)/t12-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 376.84 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(5-chloro-2-methoxybenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97276088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).