1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one

C17H23N3O3 — CID 166190059

IUPAC1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
SMILESO=C(c1cccc(N2CCCNC2=O)c1)N1CCC(CO)CC1
InChIInChI=1S/C17H23N3O3/c21-12-13-5-9-19(10-6-13)16(22)14-3-1-4-15(11-14)20-8-2-7-18-17(20)23/h1,3-4,11,13,21H,2,5-10,12H2,(H,18,23)
InChIKeyWKGQTIRPGXUYMT-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.45
Rot. Bonds3

About 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one

1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one (PubChem CID 166190059) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
PubChem CID166190059
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
SMILESO=C(c1cccc(N2CCCNC2=O)c1)N1CCC(CO)CC1
InChIInChI=1S/C17H23N3O3/c21-12-13-5-9-19(10-6-13)16(22)14-3-1-4-15(11-14)20-8-2-7-18-17(20)23/h1,3-4,11,13,21H,2,5-10,12H2,(H,18,23)
InChIKeyWKGQTIRPGXUYMT-UHFFFAOYSA-N
XLogP1.45
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(3R,5R)-3,5-dimethylpiperazine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 124590622
1-[3-[3-[4-(aminomethyl)triazol-1-yl]pyrrolidine-1-carbonyl]phenyl]-1,3-diazinan-2-one
CID 167849902
[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
3-(2-oxo-1,3-diazinan-1-yl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119514860
1-[3-[4-(2-methylpropanoyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 47047755
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]acetic acid
CID 119350110
3-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]benzoic acid
CID 146134465
2-[cyclopropyl-[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 122067250
1-[3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]imidazolidin-2-one
CID 72844062
1-[3-[(2R)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823950
1-[3-[(2S)-2-(2,2-dimethylpropyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 94823949
2-[[3-(2-oxo-1,3-diazinan-1-yl)benzoyl]amino]propanoic acid
CID 119348696

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one?
The IUPAC name of 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one (CID 166190059) is 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one.
What is the SMILES notation for 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one?
The canonical SMILES for 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one is O=C(c1cccc(N2CCCNC2=O)c1)N1CCC(CO)CC1.
What is the InChIKey of 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one?
The InChIKey is WKGQTIRPGXUYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-12-13-5-9-19(10-6-13)16(22)14-3-1-4-15(11-14)20-8-2-7-18-17(20)23/h1,3-4,11,13,21H,2,5-10,12H2,(H,18,23).
What are the key properties of 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one?
1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-diazinan-2-one is sourced from PubChem (CID 166190059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).