N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide

C18H20N4O2 — CID 126424676

IUPACN-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ncccn3)cc2)C1
InChIInChI=1S/C18H20N4O2/c1-13(23)21-16-4-2-11-22(12-16)18(24)15-7-5-14(6-8-15)17-19-9-3-10-20-17/h3,5-10,16H,2,4,11-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyARJRLWFVSGMTBZ-INIZCTEOSA-N
MW324.38 g/mol
LogP1.88
Rot. Bonds3

About N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide

N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide (PubChem CID 126424676) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
PubChem CID126424676
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ncccn3)cc2)C1
InChIInChI=1S/C18H20N4O2/c1-13(23)21-16-4-2-11-22(12-16)18(24)15-7-5-14(6-8-15)17-19-9-3-10-20-17/h3,5-10,16H,2,4,11-12H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyARJRLWFVSGMTBZ-INIZCTEOSA-N
XLogP1.88
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
N-[1-[3-(3-hydroxy-2-pyridinyl)benzoyl]piperidin-3-yl]acetamide
CID 121494225
N-[(3R)-1-[4-[4-(ethylamino)pyrimidin-2-yl]benzoyl]pyrrolidin-3-yl]acetamide
CID 126429780
2-(3-acetamidopiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616081
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997
N-[(3R)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440109
N-[(3S)-1-[4-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)benzoyl]piperidin-3-yl]acetamide
CID 125440110
N-[1-(2,3-dihydro-1H-indole-5-carbonyl)piperidin-3-yl]acetamide
CID 60947810
N-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 59294620
N-[(3S)-1-[4-[ethyl(propan-2-yl)amino]benzoyl]piperidin-3-yl]acetamide
CID 95290096
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide (CID 126424676) is N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3ncccn3)cc2)C1.
What is the InChIKey of N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide?
The InChIKey is ARJRLWFVSGMTBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-13(23)21-16-4-2-11-22(12-16)18(24)15-7-5-14(6-8-15)17-19-9-3-10-20-17/h3,5-10,16H,2,4,11-12H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide?
N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(4-pyrimidin-2-ylbenzoyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 126424676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).