1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one

C18H24N2O2 — CID 53147591

IUPAC1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one
SMILESCCCN1C(=O)Cc2ccccc2C1C(=O)N1CCCCC1
InChIInChI=1S/C18H24N2O2/c1-2-10-20-16(21)13-14-8-4-5-9-15(14)17(20)18(22)19-11-6-3-7-12-19/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3
InChIKeyOBOWLCDVCZFRNK-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.53
Rot. Bonds3

About 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one

1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one (PubChem CID 53147591) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one
PubChem CID53147591
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one
SMILESCCCN1C(=O)Cc2ccccc2C1C(=O)N1CCCCC1
InChIInChI=1S/C18H24N2O2/c1-2-10-20-16(21)13-14-8-4-5-9-15(14)17(20)18(22)19-11-6-3-7-12-19/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3
InChIKeyOBOWLCDVCZFRNK-UHFFFAOYSA-N
XLogP2.53
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxyethyl)-1-(pyrrolidine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147763
(1S)-1-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-propyl-1,4-dihydroisoquinolin-3-one
CID 95096256
2-ethyl-1-(4-phenylpiperazine-1-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147532
3-oxo-2-(2-pyrrolidin-1-ylethyl)-1,4-dihydroisoquinoline-1-carboxylic acid
CID 134336892
ethyl 1-[(1R)-2-benzyl-3-oxo-1,4-dihydroisoquinoline-1-carbonyl]piperidine-4-carboxylate
CID 95096486
N-[(4-bromophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147587
(1R)-N-[(2,4-difluorophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096224
(1R)-N-[(3,5-difluorophenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 95096226
(1R)-3-oxo-2-propyl-N-[[2-(trifluoromethyl)phenyl]methyl]-1,4-dihydroisoquinoline-1-carboxamide
CID 95096232
N-[(3,4-dimethylphenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147588
N-[(4-ethoxyphenyl)methyl]-3-oxo-2-propyl-1,4-dihydroisoquinoline-1-carboxamide
CID 53147599
2-benzyl-1-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1,4-dihydroisoquinolin-3-one
CID 53147686

Frequently Asked Questions

What is the IUPAC name of 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one (CID 53147591) is 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one is CCCN1C(=O)Cc2ccccc2C1C(=O)N1CCCCC1.
What is the InChIKey of 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one?
The InChIKey is OBOWLCDVCZFRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-10-20-16(21)13-14-8-4-5-9-15(14)17(20)18(22)19-11-6-3-7-12-19/h4-5,8-9,17H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one?
1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one has a molecular weight of 300.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidine-1-carbonyl)-2-propyl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 53147591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).