N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide

C18H30N4O3 — CID 97477545

IUPACN,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(23)13-24-12-16-8-18(14-25-16)4-6-22(7-5-18)11-15-9-19-21(3)10-15/h9-10,16H,4-8,11-14H2,1-3H3/t16-/m1/s1
InChIKeyNGPHAJYBMZMPLT-MRXNPFEDSA-N
MW350.46 g/mol
LogP0.90
Rot. Bonds6

About N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide

N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide (PubChem CID 97477545) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
PubChem CID97477545
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
SMILESCN(C)C(=O)COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO1
InChIInChI=1S/C18H30N4O3/c1-20(2)17(23)13-24-12-16-8-18(14-25-16)4-6-22(7-5-18)11-15-9-19-21(3)10-15/h9-10,16H,4-8,11-14H2,1-3H3/t16-/m1/s1
InChIKeyNGPHAJYBMZMPLT-MRXNPFEDSA-N
XLogP0.90
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[(3S)-8-(furan-3-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97418169
2-[[(3S)-8-(furan-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]-N,N-dimethylacetamide
CID 97474482
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 131657076
N,N-dimethyl-2-[[(3R)-8-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide
CID 97484135
(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078
N,N-dimethyl-2-[[8-(oxan-4-ylmethyl)-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
CID 155845966
N-methyl-N-[[9-[(1-methylpyrazol-4-yl)methyl]-2-oxa-9-azaspiro[5.5]undecan-3-yl]methyl]propan-2-amine
CID 131657863
N,N-dimethyl-2-[8-[(1-methylpyrazol-4-yl)methyl]-1-oxo-2,8-diazaspiro[4.5]decan-2-yl]acetamide
CID 97449772
N,N-dimethyl-2-[[4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]acetamide
CID 131641887
2-[[(4aR,6S,7aS)-4-[(1-methylpyrazol-4-yl)methyl]-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-6-yl]methoxy]-N,N-dimethylacetamide
CID 98815906
N,N-dimethyl-2-[[(7R)-5-[(1-methylpyrazol-4-yl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
CID 97463479
N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide;2,2,2-trifluoroacetic acid
CID 118743153

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide (CID 97477545) is N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide is CN(C)C(=O)COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO1.
What is the InChIKey of N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
The InChIKey is NGPHAJYBMZMPLT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-20(2)17(23)13-24-12-16-8-18(14-25-16)4-6-22(7-5-18)11-15-9-19-21(3)10-15/h9-10,16H,4-8,11-14H2,1-3H3/t16-/m1/s1.
What are the key properties of N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide?
N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide has a molecular weight of 350.46 g/mol, XLogP of 0.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[(3R)-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methoxy]acetamide is sourced from PubChem (CID 97477545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).