1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

C21H30N2O4 — CID 87015862

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H30N2O4/c24-19(23-12-8-21(9-13-23)26-14-15-27-21)16-22-10-6-18(7-11-22)20(25)17-4-2-1-3-5-17/h1-5,18,20,25H,6-16H2
InChIKeyTWMSNNMQJFGIDG-UHFFFAOYSA-N
MW374.48 g/mol
LogP1.80
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (PubChem CID 87015862) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
PubChem CID87015862
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
SMILESO=C(CN1CCC(C(O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C21H30N2O4/c24-19(23-12-8-21(9-13-23)26-14-15-27-21)16-22-10-6-18(7-11-22)20(25)17-4-2-1-3-5-17/h1-5,18,20,25H,6-16H2
InChIKeyTWMSNNMQJFGIDG-UHFFFAOYSA-N
XLogP1.80
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopentyl-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 110883117
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 55533895
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135
3-hydroxy-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479909
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(2-methylpyrrolidin-1-yl)ethanone
CID 111446715
2-[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 36668372
2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134043102
2-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 87016586
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 26009196
2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 56827835
2-ethoxy-1-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]ethanone
CID 95763117

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone (CID 87015862) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is O=C(CN1CCC(C(O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
The InChIKey is TWMSNNMQJFGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c24-19(23-12-8-21(9-13-23)26-14-15-27-21)16-22-10-6-18(7-11-22)20(25)17-4-2-1-3-5-17/h1-5,18,20,25H,6-16H2.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone has a molecular weight of 374.48 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 87015862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).