N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C22H31N5O — CID 56896932

IUPACN,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)C2CC3(CCNCC3)CN2C)cn1
InChIInChI=1S/C22H31N5O/c1-17-6-4-5-7-19(17)27-15-18(13-24-27)14-25(2)21(28)20-12-22(16-26(20)3)8-10-23-11-9-22/h4-7,13,15,20,23H,8-12,14,16H2,1-3H3
InChIKeyMNKPOCCGOYDPTR-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.21
Rot. Bonds4

About N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56896932) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56896932
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC NameN,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCc1ccccc1-n1cc(CN(C)C(=O)C2CC3(CCNCC3)CN2C)cn1
InChIInChI=1S/C22H31N5O/c1-17-6-4-5-7-19(17)27-15-18(13-24-27)14-25(2)21(28)20-12-22(16-26(20)3)8-10-23-11-9-22/h4-7,13,15,20,23H,8-12,14,16H2,1-3H3
InChIKeyMNKPOCCGOYDPTR-UHFFFAOYSA-N
XLogP2.21
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56897862
(3R)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95871864
(3R)-N,2-dimethyl-N-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95874258
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
3-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
CID 172910865
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56903821
(3R)-N,2-dimethyl-N-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95880976
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893810
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068
(9S)-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
CID 125155795
N,2-dimethyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56881783
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide;dihydrochloride
CID 154893367

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56896932) is N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is Cc1ccccc1-n1cc(CN(C)C(=O)C2CC3(CCNCC3)CN2C)cn1.
What is the InChIKey of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is MNKPOCCGOYDPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c1-17-6-4-5-7-19(17)27-15-18(13-24-27)14-25(2)21(28)20-12-22(16-26(20)3)8-10-23-11-9-22/h4-7,13,15,20,23H,8-12,14,16H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 381.52 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56896932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).