4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

C19H22FN3O3 — CID 137177069

IUPAC4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCO[C@H]1CN(C(=O)c2cc(=O)[nH]c(C)n2)CC[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-12-21-16(10-18(24)22-12)19(25)23-8-7-14(17(11-23)26-2)9-13-3-5-15(20)6-4-13/h3-6,10,14,17H,7-9,11H2,1-2H3,(H,21,22,24)/t14-,17+/m1/s1
InChIKeyUDIPSVKBGUZPNV-PBHICJAKSA-N
MW359.40 g/mol
LogP1.94
Rot. Bonds4

About 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137177069) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137177069
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one
SMILESCO[C@H]1CN(C(=O)c2cc(=O)[nH]c(C)n2)CC[C@@H]1Cc1ccc(F)cc1
InChIInChI=1S/C19H22FN3O3/c1-12-21-16(10-18(24)22-12)19(25)23-8-7-14(17(11-23)26-2)9-13-3-5-15(20)6-4-13/h3-6,10,14,17H,7-9,11H2,1-2H3,(H,21,22,24)/t14-,17+/m1/s1
InChIKeyUDIPSVKBGUZPNV-PBHICJAKSA-N
XLogP1.94
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

1-[4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]piperidin-1-yl]ethanone
CID 155992946
(4-fluorophenyl)-[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]methanone
CID 124796757
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 97422477
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 97423391
[(3S,4R)-3-benzyl-4-methoxypiperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97422417
[(3S,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 97422813
[(3R,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(3-methylphenyl)methanone
CID 124822421
[(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 97422474
4-[4-(5-fluoro-2-methoxybenzoyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844530
[(3S,4S)-4-methoxy-3-[(3-methylphenyl)methyl]piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 97422757
[(3R,4S)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 124800344
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816696

Frequently Asked Questions

What is the IUPAC name of 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one (CID 137177069) is 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is CO[C@H]1CN(C(=O)c2cc(=O)[nH]c(C)n2)CC[C@@H]1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UDIPSVKBGUZPNV-PBHICJAKSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-12-21-16(10-18(24)22-12)19(25)23-8-7-14(17(11-23)26-2)9-13-3-5-15(20)6-4-13/h3-6,10,14,17H,7-9,11H2,1-2H3,(H,21,22,24)/t14-,17+/m1/s1.
What are the key properties of 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 359.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R,4S)-4-[(4-fluorophenyl)methyl]-3-methoxypiperidine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137177069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).