1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide

C15H23N5O3 — CID 136663807

IUPAC1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCNc2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H23N5O3/c1-10-9-13(22)19-15(18-10)17-6-5-16-14(23)12-3-7-20(8-4-12)11(2)21/h9,12H,3-8H2,1-2H3,(H,16,23)(H2,17,18,19,22)
InChIKeyLQCLWVICFUEPQT-UHFFFAOYSA-N
MW321.38 g/mol
LogP-0.14
Rot. Bonds5

About 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide (PubChem CID 136663807) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide
PubChem CID136663807
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCNc2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C15H23N5O3/c1-10-9-13(22)19-15(18-10)17-6-5-16-14(23)12-3-7-20(8-4-12)11(2)21/h9,12H,3-8H2,1-2H3,(H,16,23)(H2,17,18,19,22)
InChIKeyLQCLWVICFUEPQT-UHFFFAOYSA-N
XLogP-0.14
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 136217050
N-[(6-hydroxy-4-pyrimidinyl)methyl]-2-(1-propyl-4-piperidinyl)acetamide
CID 136217117
1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-4-carboxamide
CID 136350758
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
4-methyl-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 135674588
1-cyclohexyl-N-[(6-hydroxy-4-pyrimidinyl)methyl]-4-piperidinecarboxamide
CID 136233471
1'-(4-Methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-[1,4'-bipiperidine]-4'-carboxamide
CID 136239261
4-methyl-2-[4-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136761450
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137154125
4-[(4-methylpiperidin-1-yl)methyl]-2-[4-(3,5,5-trimethylhexanoyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137248440
2-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]-methylamino]-3-methyl-6-(6-oxo-1H-pyrimidin-4-yl)pyrimidin-4-one
CID 136360744
1-(6-isocyanato-2,4-dimethylhexyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)urea
CID 136490119

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide (CID 136663807) is 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCNc2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide?
The InChIKey is LQCLWVICFUEPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10-9-13(22)19-15(18-10)17-6-5-16-14(23)12-3-7-20(8-4-12)11(2)21/h9,12H,3-8H2,1-2H3,(H,16,23)(H2,17,18,19,22).
What are the key properties of 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 136663807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).