8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide

C18H31N5O — CID 56890625

IUPAC8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCc1cn[nH]c1
InChIInChI=1S/C18H31N5O/c1-3-8-23-14-18(5-9-22(2)10-6-18)11-16(23)17(24)19-7-4-15-12-20-21-13-15/h12-13,16H,3-11,14H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyFTXZPIPUHSBGRH-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.26
Rot. Bonds6

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

8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (PubChem CID 56890625) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
PubChem CID56890625
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
SMILESCCCN1CC2(CCN(C)CC2)CC1C(=O)NCCc1cn[nH]c1
InChIInChI=1S/C18H31N5O/c1-3-8-23-14-18(5-9-22(2)10-6-18)11-16(23)17(24)19-7-4-15-12-20-21-13-15/h12-13,16H,3-11,14H2,1-2H3,(H,19,24)(H,20,21)
InChIKeyFTXZPIPUHSBGRH-UHFFFAOYSA-N
XLogP1.26
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-methyl-N-[2-(4-methyl-1H-pyrazol-1-yl)ethyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56908370
N,8-Dimethyl-2-propyl-N-(1H-pyrazol-3-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56885489
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
N-[2-Methyl-2-(4-methylpiperazin-1-YL)propyl]-3-(1H-pyrazol-4-YL)propanamide
CID 124206842
N-[2-[(2R)-1-cyclopentylpiperidin-2-yl]ethyl]-3-(1H-pyrazol-4-yl)propanamide
CID 125162490
N-[(2R)-3-cyclobutyl-1-oxo-1-[4-(1H-pyrazol-4-ylmethyl)piperazin-1-yl]propan-2-yl]acetamide
CID 136586537
(1R,2S,5S)-N-[cyano(1H-pyrazol-4-yl)methyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 175899488

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide (CID 56890625) is 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is CCCN1CC2(CCN(C)CC2)CC1C(=O)NCCc1cn[nH]c1.
What is the InChIKey of 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
The InChIKey is FTXZPIPUHSBGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-3-8-23-14-18(5-9-22(2)10-6-18)11-16(23)17(24)19-7-4-15-12-20-21-13-15/h12-13,16H,3-11,14H2,1-2H3,(H,19,24)(H,20,21).
What are the key properties of 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide?
8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide has a molecular weight of 333.48 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 56890625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).