2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide

C17H26N4O2 — CID 110247833

IUPAC2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C2CCCCN2C(C)=O)nc1C
InChIInChI=1S/C17H26N4O2/c1-5-20(6-2)17(23)14-11-18-16(19-12(14)3)15-9-7-8-10-21(15)13(4)22/h11,15H,5-10H2,1-4H3
InChIKeyOUJLETYPPLOBBC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.34
Rot. Bonds4

About 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide

2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide (PubChem CID 110247833) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
PubChem CID110247833
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(C2CCCCN2C(C)=O)nc1C
InChIInChI=1S/C17H26N4O2/c1-5-20(6-2)17(23)14-11-18-16(19-12(14)3)15-9-7-8-10-21(15)13(4)22/h11,15H,5-10H2,1-4H3
InChIKeyOUJLETYPPLOBBC-UHFFFAOYSA-N
XLogP2.34
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-acetylpiperidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 95830196
N,N-diethyl-4-methyl-2-[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806803
N,N-diethyl-4-methyl-2-[1-(pyridine-3-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110249024
N,N-diethyl-4-methyl-2-[(2R)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 95806040
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247820
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 110247837
2-[1-(cyclohexanecarbonyl)pyrrolidin-2-yl]-4-methylpyrimidine-5-carboxamide
CID 110084529
N,N,4-trimethyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247824
2-[(2R)-1-(4-fluorobenzoyl)piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636594
N,N,4-trimethyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]pyrimidine-5-carboxamide
CID 110247791
2-[1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 110247808
2-[(2R)-1-[3-(4-fluorophenyl)propanoyl]piperidin-2-yl]-N,N,4-trimethylpyrimidine-5-carboxamide
CID 92636784

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide (CID 110247833) is 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(C2CCCCN2C(C)=O)nc1C.
What is the InChIKey of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide?
The InChIKey is OUJLETYPPLOBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-5-20(6-2)17(23)14-11-18-16(19-12(14)3)15-9-7-8-10-21(15)13(4)22/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide?
2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-2-yl)-N,N-diethyl-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 110247833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).