N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

C24H37N3O2 — CID 132972819

IUPACN-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCC1(CNC(=O)N2CCC3(CCCOC3)C2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O2/c1-2-23(10-13-26(14-11-23)17-21-7-4-3-5-8-21)18-25-22(28)27-15-12-24(19-27)9-6-16-29-20-24/h3-5,7-8H,2,6,9-20H2,1H3,(H,25,28)
InChIKeyCJZJSPSMSKSEFK-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.89
Rot. Bonds5

About N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 132972819) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID132972819
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCC1(CNC(=O)N2CCC3(CCCOC3)C2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H37N3O2/c1-2-23(10-13-26(14-11-23)17-21-7-4-3-5-8-21)18-25-22(28)27-15-12-24(19-27)9-6-16-29-20-24/h3-5,7-8H,2,6,9-20H2,1H3,(H,25,28)
InChIKeyCJZJSPSMSKSEFK-UHFFFAOYSA-N
XLogP3.89
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

N-benzyl-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carboxamide
CID 131644499
2-(1-benzylpiperidin-4-yl)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 125170778
N-[(1,4-dibenzylpiperidin-4-yl)methyl]-2-piperidin-1-ylacetamide
CID 177375552
N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 167877765
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
N-(1H-benzimidazol-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 154973247
(1-benzyl-4-methylpiperidin-4-yl)methylcarbamic acid
CID 71268606
(5R)-N-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 124595151
N-propan-2-yl-11-(pyridin-4-ylmethyl)-8-oxa-3,11-diazaspiro[5.6]dodecane-3-carboxamide
CID 155899912
N-(2-benzylsulfinylethyl)-N'-methyl-2-oxa-8-azaspiro[5.5]undecane-8-carboximidamide
CID 119159669
1-(2-methyl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)-3-phenylpropan-1-one
CID 131644918
N-[2-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 97103334

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 132972819) is N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCC1(CNC(=O)N2CCC3(CCCOC3)C2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is CJZJSPSMSKSEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-2-23(10-13-26(14-11-23)17-21-7-4-3-5-8-21)18-25-22(28)27-15-12-24(19-27)9-6-16-29-20-24/h3-5,7-8H,2,6,9-20H2,1H3,(H,25,28).
What are the key properties of N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-ethylpiperidin-4-yl)methyl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 132972819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).