1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone

C26H34N4O2 — CID 125462418

IUPAC1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccc3)CC1)CCO2
InChIInChI=1S/C26H34N4O2/c31-25(19-22-5-4-11-27-21-22)30-12-9-26(10-13-30)20-24(8-18-32-26)29-16-14-28(15-17-29)23-6-2-1-3-7-23/h1-7,11,21,24H,8-10,12-20H2/t24-/m1/s1
InChIKeyUQGUKWZMCIGDFD-XMMPIXPASA-N
MW434.58 g/mol
LogP2.99
Rot. Bonds4

About 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone

1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone (PubChem CID 125462418) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
PubChem CID125462418
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccc3)CC1)CCO2
InChIInChI=1S/C26H34N4O2/c31-25(19-22-5-4-11-27-21-22)30-12-9-26(10-13-30)20-24(8-18-32-26)29-16-14-28(15-17-29)23-6-2-1-3-7-23/h1-7,11,21,24H,8-10,12-20H2/t24-/m1/s1
InChIKeyUQGUKWZMCIGDFD-XMMPIXPASA-N
XLogP2.99
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
3-phenyl-1-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 125462444
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462293
(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640193
1-[9-[(3S)-oxolan-3-yl]-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-pyridin-3-ylethanone
CID 97450931
N-tert-butyl-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91924297
(3-methylphenyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462402
(4-methoxyphenyl)-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462226
1-[2-(oxan-4-yl)-2,8-diazaspiro[4.5]decan-8-yl]-2-pyridin-3-ylethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746383
2-ethoxy-1-[(4R)-4-(4-pyridin-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462380
1-[(3R,5R)-3-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-2-pyridin-3-ylethanone
CID 97393983

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone (CID 125462418) is 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC2(CC1)C[C@H](N1CCN(c3ccccc3)CC1)CCO2.
What is the InChIKey of 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone?
The InChIKey is UQGUKWZMCIGDFD-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N4O2/c31-25(19-22-5-4-11-27-21-22)30-12-9-26(10-13-30)20-24(8-18-32-26)29-16-14-28(15-17-29)23-6-2-1-3-7-23/h1-7,11,21,24H,8-10,12-20H2/t24-/m1/s1.
What are the key properties of 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone?
1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone has a molecular weight of 434.58 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 125462418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).