N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

C22H26N4O2 — CID 118789970

IUPACN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)C1C(=O)NCCN1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C22H26N4O2/c1-14(2)20-21(27)23-11-12-26(20)22(28)24-17-10-9-16-8-7-15-5-3-4-6-18(15)25-19(16)13-17/h3-6,9-10,13-14,20,25H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIZUZCBINUIKQNJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.52
Rot. Bonds2

About N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide

N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide (PubChem CID 118789970) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
PubChem CID118789970
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)C1C(=O)NCCN1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2
InChIInChI=1S/C22H26N4O2/c1-14(2)20-21(27)23-11-12-26(20)22(28)24-17-10-9-16-8-7-15-5-3-4-6-18(15)25-19(16)13-17/h3-6,9-10,13-14,20,25H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyIZUZCBINUIKQNJ-UHFFFAOYSA-N
XLogP3.52
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-(3-cyanophenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 95330957
(2R)-3-oxo-N-(1-phenylpyrazol-4-yl)-2-propan-2-ylpiperazine-1-carboxamide
CID 96560368
propan-2-yl N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)carbamate
CID 781231
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-2-propylpentanamide
CID 2839733
3-propan-2-yl-4-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)piperazin-2-one
CID 119032912
cis-(1S,2R)-2-methyl-N-[3-[(2R)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]phenyl]cyclopropane-1-carboxamide
CID 124834746
(3R)-3-propan-2-yl-4-[(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl]piperazin-2-one
CID 124732448
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
(4aR,7aS)-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 97048352
(2S)-N-(1-methyl-2,3-dihydroindol-6-yl)-2-(2-methylpropyl)-3-oxopiperazine-1-carboxamide
CID 99826139
methyl 3-[(2S)-3-oxo-2-propan-2-ylpiperazine-1-carbonyl]benzoate
CID 95316463
(2R)-N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide
CID 99809312

Frequently Asked Questions

What is the IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide (CID 118789970) is N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide is CC(C)C1C(=O)NCCN1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2.
What is the InChIKey of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is IZUZCBINUIKQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-14(2)20-21(27)23-11-12-26(20)22(28)24-17-10-9-16-8-7-15-5-3-4-6-18(15)25-19(16)13-17/h3-6,9-10,13-14,20,25H,7-8,11-12H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide?
N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.52, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-3-oxo-2-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 118789970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).