N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide

C16H19ClN4O2 — CID 119771638

IUPACN-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCNCC1
InChIInChI=1S/C16H19ClN4O2/c1-23-16(5-8-18-9-6-16)15(22)20-12-3-4-14(13(17)11-12)21-10-2-7-19-21/h2-4,7,10-11,18H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyUUOWXPBHJARXSE-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.23
Rot. Bonds4

About N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide

N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide (PubChem CID 119771638) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
PubChem CID119771638
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC NameN-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCNCC1
InChIInChI=1S/C16H19ClN4O2/c1-23-16(5-8-18-9-6-16)15(22)20-12-3-4-14(13(17)11-12)21-10-2-7-19-21/h2-4,7,10-11,18H,5-6,8-9H2,1H3,(H,20,22)
InChIKeyUUOWXPBHJARXSE-UHFFFAOYSA-N
XLogP2.23
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide 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-(3-chloro-4-pyrazol-1-ylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930811
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235
N-(3-fluoro-4-imidazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119860278
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
N-(3-bromo-4-methylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119704635
4-methoxy-N-[4-methyl-3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119720377
N-[3-chloro-4-(2-methylpropylcarbamoyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119740335
4-methoxy-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119672814
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119725285

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide (CID 119771638) is N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CCNCC1.
What is the InChIKey of N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
The InChIKey is UUOWXPBHJARXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-23-16(5-8-18-9-6-16)15(22)20-12-3-4-14(13(17)11-12)21-10-2-7-19-21/h2-4,7,10-11,18H,5-6,8-9H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide?
N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide has a molecular weight of 334.81 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-pyrazol-1-ylphenyl)-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119771638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).