N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C21H30N4O — CID 15067958

IUPACN-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C(C)CN(CCn2cccn2)CC1C
InChIInChI=1S/C21H30N4O/c1-4-20(26)25(19-9-6-5-7-10-19)21-17(2)15-23(16-18(21)3)13-14-24-12-8-11-22-24/h5-12,17-18,21H,4,13-16H2,1-3H3
InChIKeyGPOAQNUHDDWPJR-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.28
Rot. Bonds6

About N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 15067958) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID15067958
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1C(C)CN(CCn2cccn2)CC1C
InChIInChI=1S/C21H30N4O/c1-4-20(26)25(19-9-6-5-7-10-19)21-17(2)15-23(16-18(21)3)13-14-24-12-8-11-22-24/h5-12,17-18,21H,4,13-16H2,1-3H3
InChIKeyGPOAQNUHDDWPJR-UHFFFAOYSA-N
XLogP3.28
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3,5-dimethylpiperidin-4-yl]-N-phenylpropanamide
CID 15067957
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
2,6-dimethyl-4-(2-pyrazol-1-ylethyl)morpholine
CID 172900914
(3R,4S)-1-(2-pyrazol-1-ylethyl)pyrrolidine-3,4-diol
CID 115278412
N-[(3S,5S)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3-pyrazol-1-ylpropanamide
CID 97226849
N-phenyl-N-propan-2-yl-2-pyrazol-1-ylacetamide
CID 60549343
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide sulfate
CID 53341505
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
(3S,4R)-4-(dimethylamino)-4-phenyl-1-(2-pyrazol-1-ylethyl)piperidin-3-ol
CID 171911184
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 15067958) is N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1C(C)CN(CCn2cccn2)CC1C.
What is the InChIKey of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is GPOAQNUHDDWPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-20(26)25(19-9-6-5-7-10-19)21-17(2)15-23(16-18(21)3)13-14-24-12-8-11-22-24/h5-12,17-18,21H,4,13-16H2,1-3H3.
What are the key properties of N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 354.50 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(2-pyrazol-1-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 15067958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).