2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

C17H24N2O4 — CID 97134253

IUPAC2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1=O
InChIInChI=1S/C17H24N2O4/c1-23-15-9-18-13(7-14(15)21)16(22)19-6-2-5-17(10-19,11-20)8-12-3-4-12/h7,9,12,20H,2-6,8,10-11H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyVOCSGOBBLROTQC-QGZVFWFLSA-N
MW320.39 g/mol
LogP1.40
Rot. Bonds5

About 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one

2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (PubChem CID 97134253) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
PubChem CID97134253
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
SMILESCOc1c[nH]c(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1=O
InChIInChI=1S/C17H24N2O4/c1-23-15-9-18-13(7-14(15)21)16(22)19-6-2-5-17(10-19,11-20)8-12-3-4-12/h7,9,12,20H,2-6,8,10-11H2,1H3,(H,18,21)/t17-/m1/s1
InChIKeyVOCSGOBBLROTQC-QGZVFWFLSA-N
XLogP1.40
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methoxy-6-methylphenyl)methanone
CID 97142480
[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 72877710
[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 97139381
[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 97123436
5-methoxy-2-(2-phenylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)-1H-pyridin-4-one
CID 163313043
(3aR,7aS)-2-(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)-5-methyl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138384978
1-[3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 70735997
4-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]benzonitrile
CID 97128083
4-[(3S)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]benzonitrile
CID 97128082
2-[(3R)-3-[2-(3,4-difluorophenyl)ethyl]piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 95558043
5-methoxy-2-(2-phenylmorpholine-4-carbonyl)-1H-pyridin-4-one
CID 128963323
2-[(2S,4R)-2-ethyl-4-hydroxy-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl]-5-methoxy-1H-pyridin-4-one
CID 154569215

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The IUPAC name of 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one (CID 97134253) is 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one.
What is the SMILES notation for 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The canonical SMILES for 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is COc1c[nH]c(C(=O)N2CCC[C@@](CO)(CC3CC3)C2)cc1=O.
What is the InChIKey of 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
The InChIKey is VOCSGOBBLROTQC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-23-15-9-18-13(7-14(15)21)16(22)19-6-2-5-17(10-19,11-20)8-12-3-4-12/h7,9,12,20H,2-6,8,10-11H2,1H3,(H,18,21)/t17-/m1/s1.
What are the key properties of 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one?
2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one has a molecular weight of 320.39 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(cyclopropylmethyl)-3-(hydroxymethyl)piperidine-1-carbonyl]-5-methoxy-1H-pyridin-4-one is sourced from PubChem (CID 97134253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).