(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

C18H25N5O — CID 97488035

IUPAC(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCn1ccnc1CN1CCC2(CC1)C[C@H](Nc1ccccn1)CO2
InChIInChI=1S/C18H25N5O/c1-22-11-8-20-17(22)13-23-9-5-18(6-10-23)12-15(14-24-18)21-16-4-2-3-7-19-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyQCGFHNJHSNQOQQ-HNNXBMFYSA-N
MW327.43 g/mol
LogP2.05
Rot. Bonds4

About (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine

(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (PubChem CID 97488035) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
PubChem CID97488035
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
SMILESCn1ccnc1CN1CCC2(CC1)C[C@H](Nc1ccccn1)CO2
InChIInChI=1S/C18H25N5O/c1-22-11-8-20-17(22)13-23-9-5-18(6-10-23)12-15(14-24-18)21-16-4-2-3-7-19-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyQCGFHNJHSNQOQQ-HNNXBMFYSA-N
XLogP2.05
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine 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

7-[(1-methylimidazol-2-yl)methyl]-N-phenyl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076701
7-[(1-methylpyrazol-4-yl)methyl]-N-pyridin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 134076709
(3S,5R)-N-(3-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97485859
N-(3-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131652465
8-[(1-methylimidazol-2-yl)methyl]-N-(1,3-thiazol-2-yl)-1-oxa-8-azaspiro[4.5]decan-3-amine;2,2,2-trifluoroacetic acid
CID 155837965
8-(oxolan-3-ylmethyl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134078983
(3S)-3-(2-methoxyethyl)-8-[(1-methylimidazol-2-yl)methyl]-1-oxa-8-azaspiro[4.5]decane
CID 97394779
8-(5-ethylpyrimidin-2-yl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131659289
N-methyl-7-[(1-methylimidazol-2-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131662354
8-[(1-methylimidazol-2-yl)methyl]-3-pyrimidin-5-yl-1-oxa-8-azaspiro[4.5]decane
CID 134071181
(3S,5R)-N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97486079
N-cyclopropyl-3-(pyridin-2-ylamino)-1-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 131639657

Frequently Asked Questions

What is the IUPAC name of (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine (CID 97488035) is (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is Cn1ccnc1CN1CCC2(CC1)C[C@H](Nc1ccccn1)CO2.
What is the InChIKey of (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
The InChIKey is QCGFHNJHSNQOQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-22-11-8-20-17(22)13-23-9-5-18(6-10-23)12-15(14-24-18)21-16-4-2-3-7-19-16/h2-4,7-8,11,15H,5-6,9-10,12-14H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine?
(3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-8-[(1-methylimidazol-2-yl)methyl]-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97488035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).