2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

C17H30N2O3 — CID 110156509

IUPAC2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCO[C@H]1CN(C(=O)CN(C)C2CCCC2)CC[C@@]12CCCO2
InChIInChI=1S/C17H30N2O3/c1-18(14-6-3-4-7-14)13-16(20)19-10-9-17(8-5-11-22-17)15(12-19)21-2/h14-15H,3-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyWNWLZKFUXDDDSA-RDJZCZTQSA-N
MW310.44 g/mol
LogP1.66
Rot. Bonds4

About 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone

2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (PubChem CID 110156509) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
PubChem CID110156509
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone
SMILESCO[C@H]1CN(C(=O)CN(C)C2CCCC2)CC[C@@]12CCCO2
InChIInChI=1S/C17H30N2O3/c1-18(14-6-3-4-7-14)13-16(20)19-10-9-17(8-5-11-22-17)15(12-19)21-2/h14-15H,3-13H2,1-2H3/t15-,17-/m0/s1
InChIKeyWNWLZKFUXDDDSA-RDJZCZTQSA-N
XLogP1.66
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-piperidin-1-ylethanone
CID 110156307
N-[2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-oxoethyl]methanesulfonamide
CID 110159553
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-2-(4-methoxyphenoxy)ethanone
CID 110156841
2-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-1-pyrrolidin-1-ylethanone
CID 110156101
1-[4-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decane-8-carbonyl]piperidin-1-yl]ethanone
CID 110159725
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1H-pyrazol-5-yl)methanone
CID 110155717
1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 110156409
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]propan-1-one
CID 110156686
1-[4-[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonane-7-carbonyl]piperidin-1-yl]ethanone
CID 110156724
[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110156464
N-(4-acetamidophenyl)-2-(6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 110167305
4-[[(5S,9S)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]benzoic acid
CID 110159544

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The IUPAC name of 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone (CID 110156509) is 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone.
What is the SMILES notation for 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The canonical SMILES for 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is CO[C@H]1CN(C(=O)CN(C)C2CCCC2)CC[C@@]12CCCO2.
What is the InChIKey of 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
The InChIKey is WNWLZKFUXDDDSA-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-18(14-6-3-4-7-14)13-16(20)19-10-9-17(8-5-11-22-17)15(12-19)21-2/h14-15H,3-13H2,1-2H3/t15-,17-/m0/s1.
What are the key properties of 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone?
2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(methyl)amino]-1-[(5S,6S)-6-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]ethanone is sourced from PubChem (CID 110156509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).