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

C18H27N3O4 — CID 97151288

IUPAC2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOCCC[C@]1(CO)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C18H27N3O4/c1-25-9-3-7-18(12-22)6-2-8-21(11-18)17(24)14-10-19-15(13-4-5-13)20-16(14)23/h10,13,22H,2-9,11-12H2,1H3,(H,19,20,23)/t18-/m1/s1
InChIKeyPJUFPCCXUCDVOM-GOSISDBHSA-N
MW349.43 g/mol
LogP1.29
Rot. Bonds7

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

2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 97151288) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID97151288
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOCCC[C@]1(CO)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1
InChIInChI=1S/C18H27N3O4/c1-25-9-3-7-18(12-22)6-2-8-21(11-18)17(24)14-10-19-15(13-4-5-13)20-16(14)23/h10,13,22H,2-9,11-12H2,1H3,(H,19,20,23)/t18-/m1/s1
InChIKeyPJUFPCCXUCDVOM-GOSISDBHSA-N
XLogP1.29
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-{[3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-2-methyl-4(3H)-pyrimidinone
CID 70783575
2-cyclopropyl-5-{[3-ethyl-3-(hydroxymethyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72871697
2-cyclopropyl-5-{[(1S*,3R*)-1-ethoxy-3-hydroxy-7-azaspiro[3.5]non-7-yl]carbonyl}-4(3H)-pyrimidinone
CID 72904130
1-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72905383
2-cyclopropyl-5-{[3-(hydroxymethyl)-3-(3-methoxypropyl)-1-piperidinyl]carbonyl}-4(3H)-pyrimidinone
CID 72929345
5-[(3R)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96407756
5-[(3S)-3-(3-methoxypropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
CID 96407757
2-cyclopropyl-5-[(3S)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124182
2-cyclopropyl-5-[(3R)-3-ethyl-3-(hydroxymethyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97124183
(3R)-1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97140395
(3S)-1-(2-cyclopropyl-6-oxo-1H-pyrimidine-5-carbonyl)-3-(2-methoxyethyl)piperidine-3-carboxylic acid
CID 97140396
2-cyclopropyl-5-[(3S)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97151289

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 97151288) is 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is COCCC[C@]1(CO)CCCN(C(=O)c2cnc(C3CC3)[nH]c2=O)C1.
What is the InChIKey of 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is PJUFPCCXUCDVOM-GOSISDBHSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-25-9-3-7-18(12-22)6-2-8-21(11-18)17(24)14-10-19-15(13-4-5-13)20-16(14)23/h10,13,22H,2-9,11-12H2,1H3,(H,19,20,23)/t18-/m1/s1.
What are the key properties of 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one?
2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 349.43 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(3R)-3-(hydroxymethyl)-3-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 97151288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).