1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one

C17H25N3O — CID 107913495

IUPAC1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCN1CCCCC1CCN1C(=O)CNCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-19-10-5-4-7-15(19)9-11-20-16-8-3-2-6-14(16)12-18-13-17(20)21/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3
InChIKeyHGIBPIRZTRJIJQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.00
Rot. Bonds3

About 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one

1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one (PubChem CID 107913495) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
PubChem CID107913495
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
SMILESCN1CCCCC1CCN1C(=O)CNCc2ccccc21
InChIInChI=1S/C17H25N3O/c1-19-10-5-4-7-15(19)9-11-20-16-8-3-2-6-14(16)12-18-13-17(20)21/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3
InChIKeyHGIBPIRZTRJIJQ-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazine-2,6-dione
CID 114015239
1-[3-(2-methoxyethoxy)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103412197
1-[3-(oxolan-2-yl)propyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 65362289
1-[2-(1,6-dimethylpiperidin-2-yl)ethyl]-3H-indol-2-one
CID 71013060
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
6-amino-4-[2-(1-methylpiperidin-2-yl)ethyl]-1,4-benzoxazin-3-one
CID 107912116
6-fluoro-4-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]-1,4-benzoxazin-3-one
CID 97206499
1-[2-(1-methylpyrazol-4-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 103014159
N,N-diethyl-2-(2-oxo-4,5-dihydro-3H-1,4-benzodiazepin-1-yl)acetamide
CID 65362341
7-methyl-1-[2-(1-methylpiperidin-2-yl)ethyl]indole-2,3-dione
CID 107912779
2-methoxy-10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]phenothiazine
CID 53298655
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfinylphenothiazine;10H-phenothiazine
CID 18787840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The IUPAC name of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one (CID 107913495) is 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The canonical SMILES for 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one is CN1CCCCC1CCN1C(=O)CNCc2ccccc21.
What is the InChIKey of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
The InChIKey is HGIBPIRZTRJIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-10-5-4-7-15(19)9-11-20-16-8-3-2-6-14(16)12-18-13-17(20)21/h2-3,6,8,15,18H,4-5,7,9-13H2,1H3.
What are the key properties of 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one?
1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpiperidin-2-yl)ethyl]-4,5-dihydro-3H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 107913495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).