4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C18H31N3O3 — CID 87054524

IUPAC4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCCNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c1-2-8-19-17(23)21-13-15(16(22)20-9-4-3-5-10-20)18(14-21)6-11-24-12-7-18/h15H,2-14H2,1H3,(H,19,23)
InChIKeyUBPMXEPUCNLUGT-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.85
Rot. Bonds3

About 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 87054524) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound Name4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID87054524
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCCCNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1
InChIInChI=1S/C18H31N3O3/c1-2-8-19-17(23)21-13-15(16(22)20-9-4-3-5-10-20)18(14-21)6-11-24-12-7-18/h15H,2-14H2,1H3,(H,19,23)
InChIKeyUBPMXEPUCNLUGT-UHFFFAOYSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054516
N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131651377
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
N-propylmorpholine-4-carboxamide
CID 3410822
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
4-(cyclopentanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 110364786
[(4S)-2-[(4-methoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 97451928
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
4-(cyclopropanecarbonyl)-N-propylpiperazine-1-carboxamide
CID 23794806
N-propyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 86771713
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911

Frequently Asked Questions

What is the IUPAC name of 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 87054524) is 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is CCCNC(=O)N1CC(C(=O)N2CCCCC2)C2(CCOCC2)C1.
What is the InChIKey of 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is UBPMXEPUCNLUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-2-8-19-17(23)21-13-15(16(22)20-9-4-3-5-10-20)18(14-21)6-11-24-12-7-18/h15H,2-14H2,1H3,(H,19,23).
What are the key properties of 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 87054524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).