2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide

C14H17ClN2O2S — CID 107026185

IUPAC2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cc(S)ccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O2S/c15-12-2-1-10(20)8-11(12)14(19)17-5-3-9(4-6-17)7-13(16)18/h1-2,8-9,20H,3-7H2,(H2,16,18)
InChIKeyNRPWWVHIOCGHLM-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.36
Rot. Bonds3

About 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide

2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide (PubChem CID 107026185) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide
PubChem CID107026185
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(C(=O)c2cc(S)ccc2Cl)CC1
InChIInChI=1S/C14H17ClN2O2S/c15-12-2-1-10(20)8-11(12)14(19)17-5-3-9(4-6-17)7-13(16)18/h1-2,8-9,20H,3-7H2,(H2,16,18)
InChIKeyNRPWWVHIOCGHLM-UHFFFAOYSA-N
XLogP2.36
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-5-sulfanylphenyl)-(4-propylazepan-1-yl)methanone
CID 107030651
1-(2-chloro-5-sulfanylbenzoyl)pyrrolidine-3-carboxamide
CID 114082529
(4-tert-butylpiperidin-1-yl)-(2-chloro-5-sulfanylphenyl)methanone
CID 107027866
(2-chloro-5-sulfanylphenyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 107024682
(2-chloro-5-sulfanylphenyl)-piperazin-1-ylmethanone
CID 107023902
(2-chloro-5-sulfanylphenyl)-(4,4-diethylpiperidin-1-yl)methanone
CID 107029313
(2-chloro-5-sulfanylphenyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 107029368
(2-chloro-5-sulfanylphenyl)-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)methanone
CID 107030694
(2-chloro-5-sulfanylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 107024550
(2-chloro-5-sulfanylphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 107034172
(2-chloro-5-sulfanylphenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 107023233
2-[1-(4-hydroxybenzoyl)piperidin-4-yl]acetamide
CID 54989392

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide (CID 107026185) is 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide is NC(=O)CC1CCN(C(=O)c2cc(S)ccc2Cl)CC1.
What is the InChIKey of 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide?
The InChIKey is NRPWWVHIOCGHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-12-2-1-10(20)8-11(12)14(19)17-5-3-9(4-6-17)7-13(16)18/h1-2,8-9,20H,3-7H2,(H2,16,18).
What are the key properties of 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide?
2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide has a molecular weight of 312.82 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chloro-5-sulfanylbenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 107026185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).