11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

C28H40N6O2 — CID 15057340

IUPAC11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCCN(CC)CCCN(C)CCC1CCCCN1C(=O)N1c2ccccc2NC(=O)c2cccnc21
InChIInChI=1S/C28H40N6O2/c1-4-32(5-2)19-11-18-31(3)21-16-22-12-8-9-20-33(22)28(36)34-25-15-7-6-14-24(25)30-27(35)23-13-10-17-29-26(23)34/h6-7,10,13-15,17,22H,4-5,8-9,11-12,16,18-21H2,1-3H3,(H,30,35)
InChIKeyBAWDYKATASVGOJ-UHFFFAOYSA-N
MW492.67 g/mol
LogP4.81
Rot. Bonds9

About 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one

11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (PubChem CID 15057340) has the molecular formula C28H40N6O2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.

Molecular Properties

Compound Name11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
PubChem CID15057340
Molecular FormulaC28H40N6O2
Molecular Weight492.67 g/mol
Exact Mass492.32
IUPAC Name11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one
SMILESCCN(CC)CCCN(C)CCC1CCCCN1C(=O)N1c2ccccc2NC(=O)c2cccnc21
InChIInChI=1S/C28H40N6O2/c1-4-32(5-2)19-11-18-31(3)21-16-22-12-8-9-20-33(22)28(36)34-25-15-7-6-14-24(25)30-27(35)23-13-10-17-29-26(23)34/h6-7,10,13-15,17,22H,4-5,8-9,11-12,16,18-21H2,1-3H3,(H,30,35)
InChIKeyBAWDYKATASVGOJ-UHFFFAOYSA-N
XLogP4.81
TPSA72.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The IUPAC name of 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one (CID 15057340) is 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one.
What is the SMILES notation for 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The canonical SMILES for 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is CCN(CC)CCCN(C)CCC1CCCCN1C(=O)N1c2ccccc2NC(=O)c2cccnc21.
What is the InChIKey of 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
The InChIKey is BAWDYKATASVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O2/c1-4-32(5-2)19-11-18-31(3)21-16-22-12-8-9-20-33(22)28(36)34-25-15-7-6-14-24(25)30-27(35)23-13-10-17-29-26(23)34/h6-7,10,13-15,17,22H,4-5,8-9,11-12,16,18-21H2,1-3H3,(H,30,35).
What are the key properties of 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one?
11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one has a molecular weight of 492.67 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-[2-[3-(diethylamino)propyl-methylamino]ethyl]piperidine-1-carbonyl]-6H-pyrido[3,2-c][1,5]benzodiazepin-5-one is sourced from PubChem (CID 15057340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).