1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide

C24H29N3O3 — CID 75399691

IUPAC1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc2c(c1)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CCCO2
InChIInChI=1S/C24H29N3O3/c1-18-8-9-22-21(16-18)27(12-5-15-30-22)17-23(28)26-13-10-19(11-14-26)24(29)25-20-6-3-2-4-7-20/h2-4,6-9,16,19H,5,10-15,17H2,1H3,(H,25,29)
InChIKeyMROVFGQSNUIJNO-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide

1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 75399691) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide
PubChem CID75399691
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1ccc2c(c1)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CCCO2
InChIInChI=1S/C24H29N3O3/c1-18-8-9-22-21(16-18)27(12-5-15-30-22)17-23(28)26-13-10-19(11-14-26)24(29)25-20-6-3-2-4-7-20/h2-4,6-9,16,19H,5,10-15,17H2,1H3,(H,25,29)
InChIKeyMROVFGQSNUIJNO-UHFFFAOYSA-N
XLogP3.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-[2-(2-oxoazepan-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 55408311
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoyl]-N-phenylpiperidine-4-carboxamide
CID 17397776
1-[2-(4-methylphenyl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462642
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(4-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113008337
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541
N-(4-methyl-2-pyridinyl)-1-[2-oxo-2-[4-(phenylcarbamoyl)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 55922165
1-[(E)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9170572
1-[2-(6-methyl-2-oxo-3H-1,4-benzoxazin-4-yl)acetyl]piperidine-4-carboxylic acid
CID 39068831
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
1-[4-(2-aminoethyl)piperazin-1-yl]-2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)ethanone
CID 118234205
N-(3-methylphenyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 113006134
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720

Frequently Asked Questions

What is the IUPAC name of 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide (CID 75399691) is 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide is Cc1ccc2c(c1)N(CC(=O)N1CCC(C(=O)Nc3ccccc3)CC1)CCCO2.
What is the InChIKey of 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is MROVFGQSNUIJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-18-8-9-22-21(16-18)27(12-5-15-30-22)17-23(28)26-13-10-19(11-14-26)24(29)25-20-6-3-2-4-7-20/h2-4,6-9,16,19H,5,10-15,17H2,1H3,(H,25,29).
What are the key properties of 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide?
1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7-methyl-3,4-dihydro-2H-1,5-benzoxazepin-5-yl)acetyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 75399691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).