(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C21H34N2O3 — CID 155871707

IUPAC(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCC1CCC(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)O3)CC2)CC1
InChIInChI=1S/C21H34N2O3/c1-16-4-6-17(7-5-16)19(24)23-14-10-21(11-15-23)9-8-18(26-21)20(25)22-12-2-3-13-22/h16-18H,2-15H2,1H3
InChIKeyNBLGHBULNSNRKQ-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.98
Rot. Bonds2

About (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 155871707) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID155871707
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC Name(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCC1CCC(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)O3)CC2)CC1
InChIInChI=1S/C21H34N2O3/c1-16-4-6-17(7-5-16)19(24)23-14-10-21(11-15-23)9-8-18(26-21)20(25)22-12-2-3-13-22/h16-18H,2-15H2,1H3
InChIKeyNBLGHBULNSNRKQ-UHFFFAOYSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

[(2R)-8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383891
[(6R)-5-oxa-2-azaspiro[3.4]octan-6-yl]-pyrrolidin-1-ylmethanone
CID 97399286
[8-(3,5-dimethylbenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 134076509
[8-(furan-2-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131649618
N-(2-ethylphenyl)-2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxamide
CID 134076802
[(2R)-8-[(1-methylpyrazol-4-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383858
[8-(cyclopropylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
CID 118742192
[8-[(4-fluorophenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 131657477
but-2-yne;cyclopropyl(pyrrolidin-1-yl)methanone
CID 170583194
pyrrolidin-1-yl-[(2R)-8-(thiophen-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methanone
CID 97383852
[(2S)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97383873
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 155871707) is (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is CC1CCC(C(=O)N2CCC3(CCC(C(=O)N4CCCC4)O3)CC2)CC1.
What is the InChIKey of (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is NBLGHBULNSNRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-16-4-6-17(7-5-16)19(24)23-14-10-21(11-15-23)9-8-18(26-21)20(25)22-12-2-3-13-22/h16-18H,2-15H2,1H3.
What are the key properties of (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 362.51 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexyl)-[2-(pyrrolidine-1-carbonyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 155871707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).