(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C25H33N5O2 — CID 125461496

IUPAC(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2
InChIInChI=1S/C25H33N5O2/c31-24(27-21-6-2-1-3-7-21)30-13-10-25(11-14-30)20-22(9-19-32-25)28-15-17-29(18-16-28)23-8-4-5-12-26-23/h1-8,12,22H,9-11,13-20H2,(H,27,31)/t22-/m1/s1
InChIKeyWGMVBHIIPFFYOF-JOCHJYFZSA-N
MW435.57 g/mol
LogP3.45
Rot. Bonds3

About (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 125461496) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID125461496
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2
InChIInChI=1S/C25H33N5O2/c31-24(27-21-6-2-1-3-7-21)30-13-10-25(11-14-30)20-22(9-19-32-25)28-15-17-29(18-16-28)23-8-4-5-12-26-23/h1-8,12,22H,9-11,13-20H2,(H,27,31)/t22-/m1/s1
InChIKeyWGMVBHIIPFFYOF-JOCHJYFZSA-N
XLogP3.45
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[(4R)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462380
1H-pyrazol-5-yl-[4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 91924308
[(4S)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-thiophen-3-ylmethanone
CID 125461881
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
4-methoxy-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91917956
N-tert-butyl-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91924297
4-(dimethylamino)-N-phenyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919087
oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462293
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108897073
4-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-phenylpiperidine-1-carboxamide
CID 70742226

Frequently Asked Questions

What is the IUPAC name of (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 125461496) is (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(Nc1ccccc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccn3)CC1)CCO2.
What is the InChIKey of (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is WGMVBHIIPFFYOF-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H33N5O2/c31-24(27-21-6-2-1-3-7-21)30-13-10-25(11-14-30)20-22(9-19-32-25)28-15-17-29(18-16-28)23-8-4-5-12-26-23/h1-8,12,22H,9-11,13-20H2,(H,27,31)/t22-/m1/s1.
What are the key properties of (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
(4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 125461496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).