N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide

C17H28N4O — CID 118743154

IUPACN,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C17H28N4O/c1-19(2)16(22)15-4-5-17(10-15)6-8-21(9-7-17)13-14-11-18-20(3)12-14/h11-12,15H,4-10,13H2,1-3H3
InChIKeyVIKHMQWVUKDGMC-UHFFFAOYSA-N
MW304.44 g/mol
LogP1.89
Rot. Bonds3

About N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide

N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide (PubChem CID 118743154) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
PubChem CID118743154
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
SMILESCN(C)C(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)C1
InChIInChI=1S/C17H28N4O/c1-19(2)16(22)15-4-5-17(10-15)6-8-21(9-7-17)13-14-11-18-20(3)12-14/h11-12,15H,4-10,13H2,1-3H3
InChIKeyVIKHMQWVUKDGMC-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(1-Ethylpyrazol-4-yl)methyl]-1,4-diazepane-1-carbonyl]cyclohexane-1-carbonitrile
CID 53588434
8-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70755109
8-[(1-ethyl-1H-pyrazol-4-yl)methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70779868
2-cyclopentyl-9-[(4-methyl-1H-pyrazol-1-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72892219
2-(cyclopropylmethyl)-9-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72913360
N-(cyclopropylmethyl)-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide
CID 118743160
8-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-yl-8-azaspiro[4.5]decane-3-carboxamide
CID 118743162
1-(4-(2-(1H-pyrazol-1-yl)ethyl)piperazin-1-yl)-2-cyclopentylethanone
CID 52907327
1-(cyclobutylcarbonyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxamide
CID 72837602
1-(cyclohexylmethyl)-N-isobutyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-3-piperidinecarboxamide
CID 72838074
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxamide
CID 72846778
N-methyl-3-[(3R)-1-methylpiperidin-3-yl]-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97202138

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide (CID 118743154) is N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide is CN(C)C(=O)C1CCC2(CCN(Cc3cnn(C)c3)CC2)C1.
What is the InChIKey of N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is VIKHMQWVUKDGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-19(2)16(22)15-4-5-17(10-15)6-8-21(9-7-17)13-14-11-18-20(3)12-14/h11-12,15H,4-10,13H2,1-3H3.
What are the key properties of N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide?
N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[(1-methylpyrazol-4-yl)methyl]-8-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 118743154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).