N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H24ClN5O3 — CID 120925648

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)CCOc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C18H23N5O3.ClH/c19-16(24)6-13-26-15-4-2-14(3-5-15)22-17(25)18(7-10-20-11-8-18)23-12-1-9-21-23;/h1-5,9,12,20H,6-8,10-11,13H2,(H2,19,24)(H,22,25);1H
InChIKeyIHCQTQOKYTWLGF-UHFFFAOYSA-N
MW393.88 g/mol
LogP1.28
Rot. Bonds7

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

N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120925648) has the molecular formula C18H24ClN5O3 and a molecular weight of 393.88 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120925648
Molecular FormulaC18H24ClN5O3
Molecular Weight393.88 g/mol
Exact Mass393.16
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NC(=O)CCOc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1
InChIInChI=1S/C18H23N5O3.ClH/c19-16(24)6-13-26-15-4-2-14(3-5-15)22-17(25)18(7-10-20-11-8-18)23-12-1-9-21-23;/h1-5,9,12,20H,6-8,10-11,13H2,(H2,19,24)(H,22,25);1H
InChIKeyIHCQTQOKYTWLGF-UHFFFAOYSA-N
XLogP1.28
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.88
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931422
4-pyrazol-1-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120920544
N-[4-(2,2-difluoroethoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120935836
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(4-methoxyphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919956
N-(3,4-dipropoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918139
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[2-(4-fluorophenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120923697

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120925648) is N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.NC(=O)CCOc1ccc(NC(=O)C2(n3cccn3)CCNCC2)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IHCQTQOKYTWLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3.ClH/c19-16(24)6-13-26-15-4-2-14(3-5-15)22-17(25)18(7-10-20-11-8-18)23-12-1-9-21-23;/h1-5,9,12,20H,6-8,10-11,13H2,(H2,19,24)(H,22,25);1H.
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 393.88 g/mol, XLogP of 1.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120925648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).