2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

C18H30N4O — CID 75436566

IUPAC2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(Cn2nc(C)cc2C)CC1)C1CC1
InChIInChI=1S/C18H30N4O/c1-4-20(17-5-6-17)13-18(23)21-9-7-16(8-10-21)12-22-15(3)11-14(2)19-22/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyFDZSBKOVHGLPIK-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.22
Rot. Bonds6

About 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone

2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (PubChem CID 75436566) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
PubChem CID75436566
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
SMILESCCN(CC(=O)N1CCC(Cn2nc(C)cc2C)CC1)C1CC1
InChIInChI=1S/C18H30N4O/c1-4-20(17-5-6-17)13-18(23)21-9-7-16(8-10-21)12-22-15(3)11-14(2)19-22/h11,16-17H,4-10,12-13H2,1-3H3
InChIKeyFDZSBKOVHGLPIK-UHFFFAOYSA-N
XLogP2.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-Dicyclohexyl-2-(3,5-dimethyl-pyrazol-1-yl)-acetamide
CID 649138
1-[2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl]-4-piperidinecarbothioamide
CID 58078897
1-(2-Methylpiperidyl)-2-[5-methyl-3-(trifluoromethyl)pyrazolyl]ethan-1-one
CID 649724
N-cyclohexyl-N-methyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 749632
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]acetamide
CID 16191009
N-cyclohexyl-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 856392
2-[5-Methyl-3-(trifluoromethyl)pyrazolyl]-1-piperidylethan-1-one
CID 2256952
2-(3,5-Dimethyl-1H-pyrazol-1-YL)-1-{8-methanesulfonyl-3,8-diazabicyclo[4.2.0]octan-3-YL}ethan-1-one
CID 124074214
US10030012, Example 79
CID 78318386
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]acetamide
CID 16192290
1-Cyclohexyl-4-[[3,5-dimethyl-1-(2-methylprop-2-enyl)pyrazol-4-yl]methyl]piperazin-2-one
CID 25914578
1-Cyclohexyl-4-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazin-2-one
CID 46963063

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone (CID 75436566) is 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is CCN(CC(=O)N1CCC(Cn2nc(C)cc2C)CC1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
The InChIKey is FDZSBKOVHGLPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-4-20(17-5-6-17)13-18(23)21-9-7-16(8-10-21)12-22-15(3)11-14(2)19-22/h11,16-17H,4-10,12-13H2,1-3H3.
What are the key properties of 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone?
2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethyl)amino]-1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 75436566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).