N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H31N5O — CID 56885489

IUPACN,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C18H31N5O/c1-4-9-23-14-18(6-10-21(2)11-7-18)12-16(23)17(24)22(3)13-15-5-8-19-20-15/h5,8,16H,4,6-7,9-14H2,1-3H3,(H,19,20)
InChIKeyXSJOWNLUOYOPFD-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.56
Rot. Bonds5

About N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56885489) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound NameN,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56885489
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC NameN,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)Cc1ccn[nH]1
InChIInChI=1S/C18H31N5O/c1-4-9-23-14-18(6-10-21(2)11-7-18)12-16(23)17(24)22(3)13-15-5-8-19-20-15/h5,8,16H,4,6-7,9-14H2,1-3H3,(H,19,20)
InChIKeyXSJOWNLUOYOPFD-UHFFFAOYSA-N
XLogP1.56
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide with MolForge

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Related Compounds

tert-butyl 2-(1H-pyrazol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
CID 51095422
8-methyl-N-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908764
2'-ethyl-1-(1{H}-pyrazol-3-ylcarbonyl)dihydro-1'{H}-spiro[piperidine-4,6'-pyrrolo[1,2-{c}]imidazole]-1',3'(2'{H})-dione
CID 91923476
N~2~-acetyl-N~1~-methyl-N~1~-(1H-pyrazol-3-ylmethyl)norvalinamide
CID 86287249
N-methyl-N-(1H-pyrazol-3-ylmethyl)-2-pyrrolidin-1-ylbutanamide
CID 90651113
(6S)-2-(3-methylbutyl)-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96404159
(2S)-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 126423142
(2S)-N-methyl-2-(4-methylpiperazin-1-yl)-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 164641980
N-[(2S)-1-[(1R,2S,5S)-2-[[[(2R)-2-chloro-2-fluoroacetyl]-(1H-pyrazol-5-ylmethyl)amino]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 168917339
N-[1-[(1R,2S,5S)-2-[[(2-chloro-2-fluoroacetyl)-(1H-pyrazol-5-ylmethyl)amino]carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2,2-trifluoroacetamide
CID 169729616
(4,4-difluoropyrrolidin-2-yl)-[4-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 120352070
4,4-difluoro-N-methyl-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 120352325

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56885489) is N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)N(C)Cc1ccn[nH]1.
What is the InChIKey of N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is XSJOWNLUOYOPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-4-9-23-14-18(6-10-21(2)11-7-18)12-16(23)17(24)22(3)13-15-5-8-19-20-15/h5,8,16H,4,6-7,9-14H2,1-3H3,(H,19,20).
What are the key properties of N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide?
N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-2-propyl-N-(1H-pyrazol-5-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56885489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).