[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone

C20H29N3O2 — CID 146040357

IUPAC[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CCOC3(CCNCC3)C2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(17-4-2-1-3-5-17)23-13-11-22(12-14-23)18-6-15-25-20(16-18)7-9-21-10-8-20/h1-5,18,21H,6-16H2
InChIKeyRXMHZEXIPMWOPP-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.75
Rot. Bonds2

About [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone

[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone (PubChem CID 146040357) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
PubChem CID146040357
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCN(C2CCOC3(CCNCC3)C2)CC1
InChIInChI=1S/C20H29N3O2/c24-19(17-4-2-1-3-5-17)23-13-11-22(12-14-23)18-6-15-25-20(16-18)7-9-21-10-8-20/h1-5,18,21H,6-16H2
InChIKeyRXMHZEXIPMWOPP-UHFFFAOYSA-N
XLogP1.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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
phenyl-(4-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110131063
(6-methyl-3-pyridinyl)-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164640193
(3-methylphenyl)-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462207
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
1-(4-oxaspiro[2.5]octan-7-yl)piperazine
CID 82399396
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone;hydrochloride
CID 155832204
[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 125462334
oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462293
1-(4-benzoylpiperazin-1-yl)-2-piperidin-4-ylethanone;hydrochloride
CID 119683440

Frequently Asked Questions

What is the IUPAC name of [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone (CID 146040357) is [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCN(C2CCOC3(CCNCC3)C2)CC1.
What is the InChIKey of [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone?
The InChIKey is RXMHZEXIPMWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(17-4-2-1-3-5-17)23-13-11-22(12-14-23)18-6-15-25-20(16-18)7-9-21-10-8-20/h1-5,18,21H,6-16H2.
What are the key properties of [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone?
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone has a molecular weight of 343.47 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 146040357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).