9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane

C18H29N3O — CID 72892323

IUPAC9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
SMILESc1nc(CC2CCCC2)[nH]c1CN1CCCC2(CCOC2)C1
InChIInChI=1S/C18H29N3O/c1-2-5-15(4-1)10-17-19-11-16(20-17)12-21-8-3-6-18(13-21)7-9-22-14-18/h11,15H,1-10,12-14H2,(H,19,20)
InChIKeyMYVIHWVPBPWIDQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.14
Rot. Bonds4

About 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane

9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane (PubChem CID 72892323) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
PubChem CID72892323
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane
SMILESc1nc(CC2CCCC2)[nH]c1CN1CCCC2(CCOC2)C1
InChIInChI=1S/C18H29N3O/c1-2-5-15(4-1)10-17-19-11-16(20-17)12-21-8-3-6-18(13-21)7-9-22-14-18/h11,15H,1-10,12-14H2,(H,19,20)
InChIKeyMYVIHWVPBPWIDQ-UHFFFAOYSA-N
XLogP3.14
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-{[2-(Cyclopentylmethyl)-1H-imidazol-4-YL]methyl}-3-(pyrrolidin-1-ylmethyl)piperidin-3-OL
CID 70741424
(4S)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-4-(methoxymethyl)-3,3-dimethyl-4-piperidinol
CID 72863024
(4S*)-1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3,3,4-trimethylpiperidin-4-ol
CID 72931447
1-{[2-(cyclopentylmethyl)-1H-imidazol-4-yl]methyl}-3-(2-methoxyethyl)-3-piperidinecarboxylic acid
CID 72869399
1-[[(3aR,6aR)-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]methyl]-3-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidine
CID 132388565
N-methyl-1-[2-(oxan-4-yl)-1H-imidazol-5-yl]methanamine
CID 65334254
2-[4-(methoxymethyl)-1-methylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 123399244
N-methyl-1-[2-(oxan-4-yl)-1H-imidazol-5-yl]methanamine;hydrochloride
CID 139558416
N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 29021716
N-[(2-butyl-1H-imidazol-5-yl)methyl]-1-(1-cyclopentylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 29021718
1-(1-cyclopentyl-4-piperidinyl)-N-[(4-methyl-1H-imidazol-2-yl)methyl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 45230129
1-(2-butyl-1H-imidazol-4-yl)-N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(tetrahydro-2-furanylmethyl)methanamine
CID 45240625

Frequently Asked Questions

What is the IUPAC name of 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane (CID 72892323) is 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane is c1nc(CC2CCCC2)[nH]c1CN1CCCC2(CCOC2)C1.
What is the InChIKey of 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane?
The InChIKey is MYVIHWVPBPWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-2-5-15(4-1)10-17-19-11-16(20-17)12-21-8-3-6-18(13-21)7-9-22-14-18/h11,15H,1-10,12-14H2,(H,19,20).
What are the key properties of 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane?
9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane has a molecular weight of 303.45 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[2-(cyclopentylmethyl)-1H-imidazol-5-yl]methyl]-2-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 72892323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).