2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide

C18H21N3O2 — CID 94818861

IUPAC2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H21N3O2/c19-17(22)13-16-5-1-2-12-21(16)18(23)14-6-8-15(9-7-14)20-10-3-4-11-20/h3-4,6-11,16H,1-2,5,12-13H2,(H2,19,22)/t16-/m1/s1
InChIKeyCKMKSDQGCCTERA-MRXNPFEDSA-N
MW311.38 g/mol
LogP2.35
Rot. Bonds4

About 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide

2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide (PubChem CID 94818861) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
PubChem CID94818861
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide
SMILESNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C18H21N3O2/c19-17(22)13-16-5-1-2-12-21(16)18(23)14-6-8-15(9-7-14)20-10-3-4-11-20/h3-4,6-11,16H,1-2,5,12-13H2,(H2,19,22)/t16-/m1/s1
InChIKeyCKMKSDQGCCTERA-MRXNPFEDSA-N
XLogP2.35
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-2-yl]acetamide
CID 95293673
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
2-[(2R)-1-[3-(azepan-1-ylmethyl)benzoyl]piperidin-2-yl]acetamide
CID 28785398
[2-(aminomethyl)piperidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 119467259
6-[4-[2-(2-amino-2-oxoethyl)piperidine-1-carbonyl]phenyl]pyrazine-2-carboxamide
CID 122565079
2-[(2S)-1-[4-(3-methyl-4-pyridinyl)benzoyl]piperidin-2-yl]acetamide
CID 126442431
2-[(2R)-1-[6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]piperidin-2-yl]acetamide
CID 95286122
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[(2R)-2-phenylpyrrolidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 41265479
2-[1-(2-chloro-5-piperidin-1-ylbenzoyl)piperidin-2-yl]acetamide
CID 135119763
2-[1-(4-bromobenzoyl)piperidin-2-yl]acetic acid
CID 54899712

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide?
The IUPAC name of 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide (CID 94818861) is 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide.
What is the SMILES notation for 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide?
The canonical SMILES for 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide is NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1.
What is the InChIKey of 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide?
The InChIKey is CKMKSDQGCCTERA-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-17(22)13-16-5-1-2-12-21(16)18(23)14-6-8-15(9-7-14)20-10-3-4-11-20/h3-4,6-11,16H,1-2,5,12-13H2,(H2,19,22)/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide?
2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide has a molecular weight of 311.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-pyrrol-1-ylbenzoyl)piperidin-2-yl]acetamide is sourced from PubChem (CID 94818861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).