3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide

C26H30N4O4 — CID 134792612

IUPAC3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C1CC2(CCN(C(=O)C3CCCN(C(=O)Nc4ccccc4)C3)CC2)Oc2ccccc2N1
InChIInChI=1S/C26H30N4O4/c31-23-17-26(34-22-11-5-4-10-21(22)28-23)12-15-29(16-13-26)24(32)19-7-6-14-30(18-19)25(33)27-20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2,(H,27,33)(H,28,31)
InChIKeyLKYJUVFJYRKBFP-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.71
Rot. Bonds2

About 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide

3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide (PubChem CID 134792612) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide
PubChem CID134792612
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide
SMILESO=C1CC2(CCN(C(=O)C3CCCN(C(=O)Nc4ccccc4)C3)CC2)Oc2ccccc2N1
InChIInChI=1S/C26H30N4O4/c31-23-17-26(34-22-11-5-4-10-21(22)28-23)12-15-29(16-13-26)24(32)19-7-6-14-30(18-19)25(33)27-20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2,(H,27,33)(H,28,31)
InChIKeyLKYJUVFJYRKBFP-UHFFFAOYSA-N
XLogP3.71
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide with MolForge

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Related Compounds

methyl 4-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)piperidine-1-carboxylate
CID 134792117
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 8967746
cyclohexyl(spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-yl)methanone
CID 90565574
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide;hydrochloride
CID 119411060
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
(3aS,6aR)-2-[1-(phenylcarbamoyl)piperidine-3-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120681943
1-N-phenyl-3-N-[(1-phenylcyclobutyl)methyl]piperidine-1,3-dicarboxamide
CID 24614563
(3S)-3-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 100899129
(3S)-3-[(2S)-2-methylthiomorpholine-4-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 95145547
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide (CID 134792612) is 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide is O=C1CC2(CCN(C(=O)C3CCCN(C(=O)Nc4ccccc4)C3)CC2)Oc2ccccc2N1.
What is the InChIKey of 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide?
The InChIKey is LKYJUVFJYRKBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-23-17-26(34-22-11-5-4-10-21(22)28-23)12-15-29(16-13-26)24(32)19-7-6-14-30(18-19)25(33)27-20-8-2-1-3-9-20/h1-5,8-11,19H,6-7,12-18H2,(H,27,33)(H,28,31).
What are the key properties of 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide?
3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide has a molecular weight of 462.55 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxospiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-carbonyl)-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 134792612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).