1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one

C26H30N4O4 — CID 134793087

IUPAC1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C3CCCN(C(=O)Cc4ccccn4)C3)CC2)Oc2ccccc2N1
InChIInChI=1S/C26H30N4O4/c31-23-17-26(34-22-9-2-1-8-21(22)28-23)10-14-29(15-11-26)25(33)19-6-5-13-30(18-19)24(32)16-20-7-3-4-12-27-20/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,28,31)
InChIKeyVSOZIZMVXDROJV-UHFFFAOYSA-N
MW462.55 g/mol
LogP2.65
Rot. Bonds3

About 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one

1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one (PubChem CID 134793087) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one
PubChem CID134793087
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC Name1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C3CCCN(C(=O)Cc4ccccn4)C3)CC2)Oc2ccccc2N1
InChIInChI=1S/C26H30N4O4/c31-23-17-26(34-22-9-2-1-8-21(22)28-23)10-14-29(15-11-26)25(33)19-6-5-13-30(18-19)24(32)16-20-7-3-4-12-27-20/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,28,31)
InChIKeyVSOZIZMVXDROJV-UHFFFAOYSA-N
XLogP2.65
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-pyridin-2-ylacetyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 73213027
N-{2-[4-(2-Methoxyphenyl)piperazin-1-YL]-2-(pyridin-3-YL)ethyl}cyclohexanecarboxamide
CID 5310238
N-[2-(4-fluorophenoxy)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 24791507
N-benzyl-2-[5-[4-(3-morpholin-4-ylpropoxy)phenyl]-2-pyridinyl]acetamide
CID 166629588
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide
CID 20908960
1-(4-ethynylbenzyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24790859
1-[(4-fluorophenyl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 24792007
1-(3-methylbenzyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24793250
1-(2-methylbenzyl)-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24817680
1-[(2E)-3-(4-fluorophenyl)-2-propen-1-yl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24818902
1-[(2E)-3-phenyl-2-propen-1-yl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidinecarboxamide
CID 24819332
2-(4-Tert-butylphenyl)-1-[5-(2-pyridin-3-ylethyl)spiro[3,4-dihydro-1,5-benzoxazepine-2,4'-piperidine]-1'-yl]ethanone
CID 71718583

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one (CID 134793087) is 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)C3CCCN(C(=O)Cc4ccccn4)C3)CC2)Oc2ccccc2N1.
What is the InChIKey of 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one?
The InChIKey is VSOZIZMVXDROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c31-23-17-26(34-22-9-2-1-8-21(22)28-23)10-14-29(15-11-26)25(33)19-6-5-13-30(18-19)24(32)16-20-7-3-4-12-27-20/h1-4,7-9,12,19H,5-6,10-11,13-18H2,(H,28,31).
What are the key properties of 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one?
1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one has a molecular weight of 462.55 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(2-pyridin-2-ylacetyl)piperidine-3-carbonyl]spiro[3,5-dihydro-1,5-benzoxazepine-2,4'-piperidine]-4-one is sourced from PubChem (CID 134793087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).