N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide

C32H44N6O3 — CID 19804226

IUPACN,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(CCCC2CCCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)C2)C1
InChIInChI=1S/C32H44N6O3/c1-3-37(4-2)32(41)25-13-10-19-35(22-25)18-8-11-24-12-9-20-36(21-24)23-29(39)38-28-16-6-5-14-26(28)31(40)34-27-15-7-17-33-30(27)38/h5-7,14-17,24-25H,3-4,8-13,18-23H2,1-2H3,(H,34,40)
InChIKeyFMFBXEACHLOJDJ-UHFFFAOYSA-N
MW560.74 g/mol
LogP4.38
Rot. Bonds9

About N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide

N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide (PubChem CID 19804226) has the molecular formula C32H44N6O3 and a molecular weight of 560.74 g/mol. Its IUPAC name is N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide
PubChem CID19804226
Molecular FormulaC32H44N6O3
Molecular Weight560.74 g/mol
Exact Mass560.35
IUPAC NameN,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(CCCC2CCCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)C2)C1
InChIInChI=1S/C32H44N6O3/c1-3-37(4-2)32(41)25-13-10-19-35(22-25)18-8-11-24-12-9-20-36(21-24)23-29(39)38-28-16-6-5-14-26(28)31(40)34-27-15-7-17-33-30(27)38/h5-7,14-17,24-25H,3-4,8-13,18-23H2,1-2H3,(H,34,40)
InChIKeyFMFBXEACHLOJDJ-UHFFFAOYSA-N
XLogP4.38
TPSA89.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.74
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

11-[2-[3-(3-piperidin-1-ylpropyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374306
11-[4-[3-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]butanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 15925629
N-methyl-N-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]benzamide
CID 14374305
hydron;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dichloride
CID 24883431
2-[4-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]butyl]isoindole-1,3-dione
CID 15050955
ethene;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one;dihydrochloride
CID 70247384
11-[2-[2-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14374298
11-[3-[3-(dimethylamino)propyl]piperidine-1-carbonyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 14369633
azane;dichloroplatinum;11-[2-(4-methylpiperazin-1-yl)acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 46830063
11-[6-(4-propylpiperazin-1-yl)hexanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70385094
N-[2-[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]ethyl]acetamide
CID 15050950
11-[2-[2-[(butan-2-ylamino)methyl]piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
CID 70475556

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide?
The IUPAC name of N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide (CID 19804226) is N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide?
The canonical SMILES for N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(CCCC2CCCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc43)C2)C1.
What is the InChIKey of N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide?
The InChIKey is FMFBXEACHLOJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44N6O3/c1-3-37(4-2)32(41)25-13-10-19-35(22-25)18-8-11-24-12-9-20-36(21-24)23-29(39)38-28-16-6-5-14-26(28)31(40)34-27-15-7-17-33-30(27)38/h5-7,14-17,24-25H,3-4,8-13,18-23H2,1-2H3,(H,34,40).
What are the key properties of N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide?
N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide has a molecular weight of 560.74 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-[1-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperidin-3-yl]propyl]piperidine-3-carboxamide is sourced from PubChem (CID 19804226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).