2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

C16H23N3O3 — CID 97124183

IUPAC2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC[C@@]1(CO)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C16H23N3O3/c1-2-16(10-20)6-3-7-19(9-16)15(22)12-8-17-13(11-4-5-11)18-14(12)21/h8,11,20H,2-7,9-10H2,1H3,(H,17,18,21)/t16-/m1/s1
InChIKeyRPLQKNPGAXQFNJ-MRXNPFEDSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds4

About 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one

2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 97124183) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID97124183
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCC[C@@]1(CO)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C16H23N3O3/c1-2-16(10-20)6-3-7-19(9-16)15(22)12-8-17-13(11-4-5-11)18-14(12)21/h8,11,20H,2-7,9-10H2,1H3,(H,17,18,21)/t16-/m1/s1
InChIKeyRPLQKNPGAXQFNJ-MRXNPFEDSA-N
XLogP1.27
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 97124183) is 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is CC[C@@]1(CO)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1.
What is the InChIKey of 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is RPLQKNPGAXQFNJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-2-16(10-20)6-3-7-19(9-16)15(22)12-8-17-13(11-4-5-11)18-14(12)21/h8,11,20H,2-7,9-10H2,1H3,(H,17,18,21)/t16-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 305.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97124183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).