N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H23Cl2N5O2 — CID 120927555

IUPACN-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1Cl.Cl
InChIInChI=1S/C18H22ClN5O2.ClH/c1-23(2)16(25)14-5-4-13(12-15(14)19)22-17(26)18(6-9-20-10-7-18)24-11-3-8-21-24;/h3-5,8,11-12,20H,6-7,9-10H2,1-2H3,(H,22,26);1H
InChIKeyCXAWGWSECOUASS-UHFFFAOYSA-N
MW412.32 g/mol
LogP2.38
Rot. Bonds4

About N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120927555) has the molecular formula C18H23Cl2N5O2 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120927555
Molecular FormulaC18H23Cl2N5O2
Molecular Weight412.32 g/mol
Exact Mass411.12
IUPAC NameN-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1Cl.Cl
InChIInChI=1S/C18H22ClN5O2.ClH/c1-23(2)16(25)14-5-4-13(12-15(14)19)22-17(26)18(6-9-20-10-7-18)24-11-3-8-21-24;/h3-5,8,11-12,20H,6-7,9-10H2,1-2H3,(H,22,26);1H
InChIKeyCXAWGWSECOUASS-UHFFFAOYSA-N
XLogP2.38
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120927555) is N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CN(C)C(=O)c1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1Cl.Cl.
What is the InChIKey of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is CXAWGWSECOUASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O2.ClH/c1-23(2)16(25)14-5-4-13(12-15(14)19)22-17(26)18(6-9-20-10-7-18)24-11-3-8-21-24;/h3-5,8,11-12,20H,6-7,9-10H2,1-2H3,(H,22,26);1H.
What are the key properties of N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[3-chloro-4-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 412.32 g/mol, XLogP of 2.38, 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-(dimethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120927555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).