3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide

C20H27N5O3 — CID 128751106

IUPAC3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide
SMILESO=C1CCCc2cc(NC(=O)N3CCCC(N4CCNCC4=O)C3)ccc2N1
InChIInChI=1S/C20H27N5O3/c26-18-5-1-3-14-11-15(6-7-17(14)23-18)22-20(28)24-9-2-4-16(13-24)25-10-8-21-12-19(25)27/h6-7,11,16,21H,1-5,8-10,12-13H2,(H,22,28)(H,23,26)
InChIKeyDNXBTFXRMRVHPR-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.39
Rot. Bonds2

About 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide

3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide (PubChem CID 128751106) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide
PubChem CID128751106
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide
SMILESO=C1CCCc2cc(NC(=O)N3CCCC(N4CCNCC4=O)C3)ccc2N1
InChIInChI=1S/C20H27N5O3/c26-18-5-1-3-14-11-15(6-7-17(14)23-18)22-20(28)24-9-2-4-16(13-24)25-10-8-21-12-19(25)27/h6-7,11,16,21H,1-5,8-10,12-13H2,(H,22,28)(H,23,26)
InChIKeyDNXBTFXRMRVHPR-UHFFFAOYSA-N
XLogP1.39
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 166217928
(9aR)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 97079605
3-methyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079385
N-(4-methoxyphenyl)-2-oxo-2-[3-(2-oxopiperazin-1-yl)piperidin-1-yl]acetamide
CID 129009431
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
(4S)-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124851582
N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 136513000
7-[[(3S)-1-cyclopropyl-2-oxopyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 99775329
methyl 2-chloro-5-[[(3R)-3-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]amino]benzoate
CID 97433884
4-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-carboxamide
CID 79163467
3-(3-propan-2-yl-1H-pyrazol-5-yl)-N-(1,2,3,4-tetrahydroquinolin-6-yl)piperidine-1-carboxamide
CID 166249754
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide (CID 128751106) is 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide is O=C1CCCc2cc(NC(=O)N3CCCC(N4CCNCC4=O)C3)ccc2N1.
What is the InChIKey of 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide?
The InChIKey is DNXBTFXRMRVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-18-5-1-3-14-11-15(6-7-17(14)23-18)22-20(28)24-9-2-4-16(13-24)25-10-8-21-12-19(25)27/h6-7,11,16,21H,1-5,8-10,12-13H2,(H,22,28)(H,23,26).
What are the key properties of 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide?
3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 1.39, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopiperazin-1-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-1-carboxamide is sourced from PubChem (CID 128751106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).