N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide

C15H24N4O2 — CID 136861478

IUPACN-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCc1nc(CNC(=O)CC[C@@H]2CCCN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-11-17-13(8-15(21)18-11)9-16-14(20)6-5-12-4-3-7-19(2)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,20)(H,17,18,21)/t12-/m0/s1
InChIKeyJVHQWNQQYDCSJI-LBPRGKRZSA-N
MW292.38 g/mol
LogP0.82
Rot. Bonds5

About N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide

N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide (PubChem CID 136861478) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
PubChem CID136861478
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
SMILESCc1nc(CNC(=O)CC[C@@H]2CCCN(C)C2)cc(=O)[nH]1
InChIInChI=1S/C15H24N4O2/c1-11-17-13(8-15(21)18-11)9-16-14(20)6-5-12-4-3-7-19(2)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,20)(H,17,18,21)/t12-/m0/s1
InChIKeyJVHQWNQQYDCSJI-LBPRGKRZSA-N
XLogP0.82
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The IUPAC name of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide (CID 136861478) is N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide is Cc1nc(CNC(=O)CC[C@@H]2CCCN(C)C2)cc(=O)[nH]1.
What is the InChIKey of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
The InChIKey is JVHQWNQQYDCSJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-17-13(8-15(21)18-11)9-16-14(20)6-5-12-4-3-7-19(2)10-12/h8,12H,3-7,9-10H2,1-2H3,(H,16,20)(H,17,18,21)/t12-/m0/s1.
What are the key properties of N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide?
N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide is sourced from PubChem (CID 136861478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).