N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

C19H25ClN4O — CID 26328592

IUPACN-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCn1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C19H25ClN4O/c1-23-13-16(12-21-23)14-24-10-8-15(9-11-24)6-7-19(25)22-18-5-3-2-4-17(18)20/h2-5,12-13,15H,6-11,14H2,1H3,(H,22,25)
InChIKeyWLRAXVDLWUDDKE-UHFFFAOYSA-N
MW360.89 g/mol
LogP3.70
Rot. Bonds6

About N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide

N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (PubChem CID 26328592) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
PubChem CID26328592
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC NameN-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide
SMILESCn1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1
InChIInChI=1S/C19H25ClN4O/c1-23-13-16(12-21-23)14-24-10-8-15(9-11-24)6-7-19(25)22-18-5-3-2-4-17(18)20/h2-5,12-13,15H,6-11,14H2,1H3,(H,22,25)
InChIKeyWLRAXVDLWUDDKE-UHFFFAOYSA-N
XLogP3.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide (CID 26328592) is N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is Cn1cc(CN2CCC(CCC(=O)Nc3ccccc3Cl)CC2)cn1.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
The InChIKey is WLRAXVDLWUDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c1-23-13-16(12-21-23)14-24-10-8-15(9-11-24)6-7-19(25)22-18-5-3-2-4-17(18)20/h2-5,12-13,15H,6-11,14H2,1H3,(H,22,25).
What are the key properties of N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide has a molecular weight of 360.89 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26328592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).