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

C17H24N4O3 — CID 154851311

IUPACN-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCc1nc(C(=O)N2CCC[C@H](CNC(=O)C3CCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11-19-14(8-15(22)20-11)17(24)21-7-3-4-12(10-21)9-18-16(23)13-5-2-6-13/h8,12-13H,2-7,9-10H2,1H3,(H,18,23)(H,19,20,22)/t12-/m1/s1
InChIKeyBIKFVFBZSFYVOO-GFCCVEGCSA-N
MW332.40 g/mol
LogP0.85
Rot. Bonds4

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

N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide (PubChem CID 154851311) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
PubChem CID154851311
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide
SMILESCc1nc(C(=O)N2CCC[C@H](CNC(=O)C3CCC3)C2)cc(=O)[nH]1
InChIInChI=1S/C17H24N4O3/c1-11-19-14(8-15(22)20-11)17(24)21-7-3-4-12(10-21)9-18-16(23)13-5-2-6-13/h8,12-13H,2-7,9-10H2,1H3,(H,18,23)(H,19,20,22)/t12-/m1/s1
InChIKeyBIKFVFBZSFYVOO-GFCCVEGCSA-N
XLogP0.85
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide (CID 154851311) is N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide is Cc1nc(C(=O)N2CCC[C@H](CNC(=O)C3CCC3)C2)cc(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
The InChIKey is BIKFVFBZSFYVOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-19-14(8-15(22)20-11)17(24)21-7-3-4-12(10-21)9-18-16(23)13-5-2-6-13/h8,12-13H,2-7,9-10H2,1H3,(H,18,23)(H,19,20,22)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide?
N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-(2-methyl-6-oxo-1H-pyrimidine-4-carbonyl)piperidin-3-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 154851311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).