1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 119825495

IUPAC1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-3-11-23(15-6-9-20-10-7-15)19(25)14-4-5-17-16(13-14)21-18(24)8-12-22(17)2;;/h4-5,13,15,20H,3,6-12H2,1-2H3,(H,21,24);2*1H
InChIKeyVEBAWWNUASZGSA-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.91
Rot. Bonds4

About 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride

1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride (PubChem CID 119825495) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride
PubChem CID119825495
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC Name1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)C1CCNCC1.Cl.Cl
InChIInChI=1S/C19H28N4O2.2ClH/c1-3-11-23(15-6-9-20-10-7-15)19(25)14-4-5-17-16(13-14)21-18(24)8-12-22(17)2;;/h4-5,13,15,20H,3,6-12H2,1-2H3,(H,21,24);2*1H
InChIKeyVEBAWWNUASZGSA-UHFFFAOYSA-N
XLogP2.91
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride with MolForge

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Related Compounds

2-[methyl-(1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carbonyl)amino]acetic acid
CID 119346700
1-methyl-2-oxo-N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 103813162
N-cyclopropyl-2-oxo-N-propyl-1,3-dihydroindole-6-carboxamide
CID 102712009
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
4-ethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823008
4-iodo-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119822992
7-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one;dihydrochloride
CID 119647314
3,5-dimethyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119824323
3-methoxy-4-methyl-N-piperidin-4-yl-N-propylbenzamide;hydrochloride
CID 119823113
N-[2-(cycloheptylamino)ethyl]-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119620864
2-methyl-3-oxo-N-propyl-N-pyrrolidin-3-yl-4H-1,4-benzothiazine-6-carboxamide;hydrochloride
CID 119530696
N-piperidin-4-yl-3,4-dipropoxy-N-propylbenzamide
CID 119825767

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride?
The IUPAC name of 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride (CID 119825495) is 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride.
What is the SMILES notation for 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride?
The canonical SMILES for 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride is CCCN(C(=O)c1ccc2c(c1)NC(=O)CCN2C)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride?
The InChIKey is VEBAWWNUASZGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c1-3-11-23(15-6-9-20-10-7-15)19(25)14-4-5-17-16(13-14)21-18(24)8-12-22(17)2;;/h4-5,13,15,20H,3,6-12H2,1-2H3,(H,21,24);2*1H.
What are the key properties of 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride?
1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-piperidin-4-yl-N-propyl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide;dihydrochloride is sourced from PubChem (CID 119825495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).