N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H27ClN4O2 — CID 120932903

IUPACN-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1OCC1CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H26N4O2.ClH/c25-19(20(8-11-21-12-9-20)24-13-3-10-23-24)22-14-17-4-1-2-5-18(17)26-15-16-6-7-16;/h1-5,10,13,16,21H,6-9,11-12,14-15H2,(H,22,25);1H
InChIKeyLBGGLRSELUIHKC-UHFFFAOYSA-N
MW390.92 g/mol
LogP2.49
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120932903) has the molecular formula C20H27ClN4O2 and a molecular weight of 390.92 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120932903
Molecular FormulaC20H27ClN4O2
Molecular Weight390.92 g/mol
Exact Mass390.18
IUPAC NameN-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1OCC1CC1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C20H26N4O2.ClH/c25-19(20(8-11-21-12-9-20)24-13-3-10-23-24)22-14-17-4-1-2-5-18(17)26-15-16-6-7-16;/h1-5,10,13,16,21H,6-9,11-12,14-15H2,(H,22,25);1H
InChIKeyLBGGLRSELUIHKC-UHFFFAOYSA-N
XLogP2.49
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.92
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120921521
N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936185
N-[(4-chloro-2-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120931808
N-(2-phenoxyethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120918777
N-[2-(2-methylphenoxy)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926962
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922992
N-[(2-ethoxyphenyl)methyl]-N-methyl-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926302
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938055
N-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923913

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120932903) is N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1OCC1CC1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is LBGGLRSELUIHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2.ClH/c25-19(20(8-11-21-12-9-20)24-13-3-10-23-24)22-14-17-4-1-2-5-18(17)26-15-16-6-7-16;/h1-5,10,13,16,21H,6-9,11-12,14-15H2,(H,22,25);1H.
What are the key properties of N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 390.92 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120932903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).