1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one

C16H24N2O — CID 21025428

IUPAC1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C16H24N2O/c1-14(2)18-13-7-12-17(16(18)19)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyHJUACAJVRKKWOL-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.16
Rot. Bonds5

About 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one

1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one (PubChem CID 21025428) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
PubChem CID21025428
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one
SMILESCC(C)N1CCCN(CCCc2ccccc2)C1=O
InChIInChI=1S/C16H24N2O/c1-14(2)18-13-7-12-17(16(18)19)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3
InChIKeyHJUACAJVRKKWOL-UHFFFAOYSA-N
XLogP3.16
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-phenylpropyl)pyrrolidin-2-one;dihydrochloride
CID 142636287
1-(3-phenylpropyl)piperazine-2,5-dione
CID 64874242
1,3-di(propan-2-yl)-1,3-diazinan-2-one;ethane
CID 157428700
(3R)-3-amino-1-(3-phenylpropyl)pyrrolidin-2-one
CID 94237309
4,4-dimethyl-3-(3-phenylpropyl)-1-propan-2-yl-5-propan-2-ylideneimidazolidine
CID 59346693
1-[4-oxo-4-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butyl]pyrrolidin-2-one
CID 70735584
(3R)-3-[(2,2-difluoroethylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
CID 95188134
9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
2-[1-methylsulfonyl-3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetic acid
CID 110284456
2-amino-1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
CID 75449499
(2S)-3-methyl-1-[4-(3-phenylpropyl)piperazin-1-yl]pentan-2-amine
CID 22689518
1-(3-phenylpropyl)-3,4-dihydro-2H-quinolin-8-amine
CID 61359358

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one?
The IUPAC name of 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one (CID 21025428) is 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one.
What is the SMILES notation for 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one?
The canonical SMILES for 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one is CC(C)N1CCCN(CCCc2ccccc2)C1=O.
What is the InChIKey of 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one?
The InChIKey is HJUACAJVRKKWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-14(2)18-13-7-12-17(16(18)19)11-6-10-15-8-4-3-5-9-15/h3-5,8-9,14H,6-7,10-13H2,1-2H3.
What are the key properties of 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one?
1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylpropyl)-3-propan-2-yl-1,3-diazinan-2-one is sourced from PubChem (CID 21025428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).