2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide

C12H18N4O2 — CID 136715591

IUPAC2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c([C@H]2CCCN(CC(N)=O)C2)n1
InChIInChI=1S/C12H18N4O2/c1-8-5-11(18)15-12(14-8)9-3-2-4-16(6-9)7-10(13)17/h5,9H,2-4,6-7H2,1H3,(H2,13,17)(H,14,15,18)/t9-/m0/s1
InChIKeyHGAHXSHDRIJHJI-VIFPVBQESA-N
MW250.30 g/mol
LogP-0.26
Rot. Bonds3

About 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide

2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide (PubChem CID 136715591) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide
PubChem CID136715591
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide
SMILESCc1cc(=O)[nH]c([C@H]2CCCN(CC(N)=O)C2)n1
InChIInChI=1S/C12H18N4O2/c1-8-5-11(18)15-12(14-8)9-3-2-4-16(6-9)7-10(13)17/h5,9H,2-4,6-7H2,1H3,(H2,13,17)(H,14,15,18)/t9-/m0/s1
InChIKeyHGAHXSHDRIJHJI-VIFPVBQESA-N
XLogP-0.26
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472863
2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-Cyclopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135416704
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 136103141
2-[1-(2-hydroxyethyl)piperidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136804062
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
6-(1,4'-bipiperidin-1'-ylmethyl)-2-isopropylpyrimidin-4(3{H})-one
CID 136087954
6-[(4-cyclohexylpiperazino)methyl]-2-isopropyl-4(3H)-pyrimidinone
CID 136087957
2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
4-methyl-2-piperidin-3-yl-1H-pyrimidin-6-one;hydrochloride
CID 137014964
N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]acetamide
CID 137301598

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide (CID 136715591) is 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide is Cc1cc(=O)[nH]c([C@H]2CCCN(CC(N)=O)C2)n1.
What is the InChIKey of 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide?
The InChIKey is HGAHXSHDRIJHJI-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-11(18)15-12(14-8)9-3-2-4-16(6-9)7-10(13)17/h5,9H,2-4,6-7H2,1H3,(H2,13,17)(H,14,15,18)/t9-/m0/s1.
What are the key properties of 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide?
2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide has a molecular weight of 250.30 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 136715591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).