N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide

C16H26N4O2 — CID 124991686

IUPACN-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1
InChIInChI=1S/C16H26N4O2/c1-13(21)19(2)14-3-10-22-16(11-14)4-8-20(9-5-16)12-15-17-6-7-18-15/h6-7,14H,3-5,8-12H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyPLDBHNFADFYHHV-AWEZNQCLSA-N
MW306.41 g/mol
LogP1.40
Rot. Bonds3

About N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide

N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide (PubChem CID 124991686) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
PubChem CID124991686
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)[C@H]1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1
InChIInChI=1S/C16H26N4O2/c1-13(21)19(2)14-3-10-22-16(11-14)4-8-20(9-5-16)12-15-17-6-7-18-15/h6-7,14H,3-5,8-12H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeyPLDBHNFADFYHHV-AWEZNQCLSA-N
XLogP1.40
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(9-pyrimidin-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-yl)acetamide
CID 110131080
2-[(4S)-4-[acetyl(methyl)amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]acetic acid
CID 124976892
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-oxa-9-azaspiro[5.5]undecan-4-amine;dihydrochloride
CID 154919616
N-ethyl-N-[(4R)-9-(pyridin-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 124997333
3-[2-[cyclohexyl(methyl)amino]ethyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70783189
N-[(4S,5S)-5-hydroxy-1-(1H-imidazol-2-ylmethyl)azepan-4-yl]acetamide
CID 110126858
7-(1H-imidazol-2-ylmethyl)-1,4-dioxa-7-azaspiro[4.4]nonane
CID 130863312
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-N-[(3R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]acetamide
CID 97217475
N-[(4S)-9-(4-benzyl-1-methylpiperidine-4-carbonyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide
CID 124990915
N-[(3S,4S)-4-hydroxy-9-(1H-imidazol-2-ylmethyl)-4-methyl-1-oxa-9-azaspiro[5.5]undecan-3-yl]-2-pyrazol-1-ylacetamide
CID 169420731
3-[(3-chlorophenyl)methyl]-8-(1H-imidazol-2-ylmethyl)-1-oxa-8-azaspiro[4.5]decane
CID 175656729
(4R)-8-(1H-imidazol-2-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97150923

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide?
The IUPAC name of N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide (CID 124991686) is N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide is CC(=O)N(C)[C@H]1CCOC2(CCN(Cc3ncc[nH]3)CC2)C1.
What is the InChIKey of N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide?
The InChIKey is PLDBHNFADFYHHV-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-13(21)19(2)14-3-10-22-16(11-14)4-8-20(9-5-16)12-15-17-6-7-18-15/h6-7,14H,3-5,8-12H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide?
N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide has a molecular weight of 306.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-9-(1H-imidazol-2-ylmethyl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-N-methylacetamide is sourced from PubChem (CID 124991686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).