N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

C16H22N4O3 — CID 154851310

IUPACN-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O3/c1-10-18-13(7-14(21)19-10)15(22)17-8-11-3-2-6-20(9-11)16(23)12-4-5-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,19,21)/t11-/m1/s1
InChIKeyLXAATIQYTSVQIX-LLVKDONJSA-N
MW318.38 g/mol
LogP0.46
Rot. Bonds4

About N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide

N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 154851310) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID154851310
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1nc(C(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H22N4O3/c1-10-18-13(7-14(21)19-10)15(22)17-8-11-3-2-6-20(9-11)16(23)12-4-5-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,19,21)/t11-/m1/s1
InChIKeyLXAATIQYTSVQIX-LLVKDONJSA-N
XLogP0.46
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
2-(3-fluorocyclobutyl)-N-[(1S,5R)-3-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)-3-azabicyclo[3.1.0]hexan-6-yl]acetamide
CID 154876455
N-[1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-4-yl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
CID 155963743
2-Cyclopropyl-N-((4-Oxo-4,6,7,8,9,10-Hexahydropyrimido[1,2-A][1,4]Diazepin-2-Yl)Methyl)Acetamide
CID 97467780
N-[3-(dimethylamino)propyl]-2-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxamide
CID 12339737
2,6-Dimethyl-3-[(piperidin-3-yl)methyl]-3,4-dihydropyrimidin-4-one
CID 63769195
N-{[1-(cyclopropylcarbonyl)piperidin-3-yl]methyl}-2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 121504764
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439807
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
2-[[(3S,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 135737082
2-[[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 135737084
2-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]-4-methyl-1H-pyrimidin-6-one
CID 135737086

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide (CID 154851310) is N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is Cc1nc(C(=O)NC[C@H]2CCCN(C(=O)C3CC3)C2)cc(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is LXAATIQYTSVQIX-LLVKDONJSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-10-18-13(7-14(21)19-10)15(22)17-8-11-3-2-6-20(9-11)16(23)12-4-5-12/h7,11-12H,2-6,8-9H2,1H3,(H,17,22)(H,18,19,21)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide?
N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2-methyl-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 154851310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).