N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

C19H25ClN4O — CID 24817177

IUPACN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H25ClN4O/c1-14-10-15(2)24(22-14)13-19(25)21-18-4-3-9-23(12-18)11-16-5-7-17(20)8-6-16/h5-8,10,18H,3-4,9,11-13H2,1-2H3,(H,21,25)
InChIKeyQSCKGDNDDQDSQW-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.93
Rot. Bonds5

About N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide

N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (PubChem CID 24817177) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
PubChem CID24817177
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
SMILESCc1cc(C)n(CC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H25ClN4O/c1-14-10-15(2)24(22-14)13-19(25)21-18-4-3-9-23(12-18)11-16-5-7-17(20)8-6-16/h5-8,10,18H,3-4,9,11-13H2,1-2H3,(H,21,25)
InChIKeyQSCKGDNDDQDSQW-UHFFFAOYSA-N
XLogP2.93
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide (CID 24817177) is N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is Cc1cc(C)n(CC(=O)NC2CCCN(Cc3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
The InChIKey is QSCKGDNDDQDSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-14-10-15(2)24(22-14)13-19(25)21-18-4-3-9-23(12-18)11-16-5-7-17(20)8-6-16/h5-8,10,18H,3-4,9,11-13H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide?
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide has a molecular weight of 360.89 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(3,5-dimethylpyrazol-1-yl)acetamide is sourced from PubChem (CID 24817177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).