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

C21H29N3O3 — CID 131651377

IUPACN-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C21H29N3O3/c25-19(23-10-4-5-11-23)18-15-24(16-21(18)8-12-27-13-9-21)20(26)22-14-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,26)
InChIKeyVWHZUHWAUJYJMC-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.25
Rot. Bonds3

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

N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 131651377) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID131651377
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESO=C(NCc1ccccc1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1
InChIInChI=1S/C21H29N3O3/c25-19(23-10-4-5-11-23)18-15-24(16-21(18)8-12-27-13-9-21)20(26)22-14-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,26)
InChIKeyVWHZUHWAUJYJMC-UHFFFAOYSA-N
XLogP2.25
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131642120
N-(2-ethylphenyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 131641879
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054516
4-(piperidine-1-carbonyl)-N-propyl-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 87054524
N-benzylazonane-1-carboxamide
CID 130689649
(2R,3S)-N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide
CID 97396668
[2-[(4-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651785
[2-(furan-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131651911
N-(pyridin-3-ylmethyl)-2-(pyrrolidine-1-carbonyl)-5-azaspiro[2.4]heptane-5-carboxamide;2,2,2-trifluoroacetic acid
CID 155860227
2-(3-phenylpropanoyl)-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739581
[2-(3-methoxybenzoyl)-8-oxa-2-azaspiro[4.5]decan-4-yl]-pyrrolidin-1-ylmethanone
CID 131654519
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 131651377) is N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is O=C(NCc1ccccc1)N1CC(C(=O)N2CCCC2)C2(CCOCC2)C1.
What is the InChIKey of N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is VWHZUHWAUJYJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c25-19(23-10-4-5-11-23)18-15-24(16-21(18)8-12-27-13-9-21)20(26)22-14-17-6-2-1-3-7-17/h1-3,6-7,18H,4-5,8-16H2,(H,22,26).
What are the key properties of N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(pyrrolidine-1-carbonyl)-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 131651377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).