N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

C18H23ClN4O — CID 136524069

IUPACN-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C18H23ClN4O/c1-14(18(24)21-17-6-3-2-5-16(17)19)22-11-7-15(8-12-22)13-23-10-4-9-20-23/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,21,24)
InChIKeyJLONHDRDIJNZAW-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.28
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide

N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (PubChem CID 136524069) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
PubChem CID136524069
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC NameN-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccccc1Cl)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C18H23ClN4O/c1-14(18(24)21-17-6-3-2-5-16(17)19)22-11-7-15(8-12-22)13-23-10-4-9-20-23/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,21,24)
InChIKeyJLONHDRDIJNZAW-UHFFFAOYSA-N
XLogP3.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chlorophenyl)-2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanamide
CID 51086745
ethyl 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 46631043
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95272026
N-(4-amino-2-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propanamide
CID 61421371
N-(2-chlorophenyl)-2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55470341
(2S)-N-(4-fluorophenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125172810
N-(2-chlorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]propanamide
CID 18094405
(2S)-N-(2-chlorophenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275425
N-(2-ethoxyphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 75810083
(2R)-N-(3-methylphenyl)-2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]propanamide
CID 125175137
N-(2,5-dichlorophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899247
(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
CID 154807888

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide (CID 136524069) is N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is CC(C(=O)Nc1ccccc1Cl)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
The InChIKey is JLONHDRDIJNZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-14(18(24)21-17-6-3-2-5-16(17)19)22-11-7-15(8-12-22)13-23-10-4-9-20-23/h2-6,9-10,14-15H,7-8,11-13H2,1H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide?
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide has a molecular weight of 346.86 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 136524069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).