N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride

C17H20Cl3N3O2 — CID 119864102

IUPACN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C1CCNCC1
InChIInChI=1S/C17H18ClN3O2.2ClH/c18-13-1-6-16(20-11-13)23-15-4-2-14(3-5-15)21-17(22)12-7-9-19-10-8-12;;/h1-6,11-12,19H,7-10H2,(H,21,22);2*1H
InChIKeyLEKQRJDWTDPQRY-UHFFFAOYSA-N
MW404.73 g/mol
LogP4.31
Rot. Bonds4

About N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride

N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 119864102) has the molecular formula C17H20Cl3N3O2 and a molecular weight of 404.73 g/mol. Its IUPAC name is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID119864102
Molecular FormulaC17H20Cl3N3O2
Molecular Weight404.73 g/mol
Exact Mass403.06
IUPAC NameN-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C1CCNCC1
InChIInChI=1S/C17H18ClN3O2.2ClH/c18-13-1-6-16(20-11-13)23-15-4-2-14(3-5-15)21-17(22)12-7-9-19-10-8-12;;/h1-6,11-12,19H,7-10H2,(H,21,22);2*1H
InChIKeyLEKQRJDWTDPQRY-UHFFFAOYSA-N
XLogP4.31
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.73
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119864063
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
N-[4-[(4-chlorobenzoyl)amino]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119302107
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]acetamide
CID 119864125
N-[4-(3-fluorophenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119299172
1-amino-N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]cyclopentane-1-carboxamide
CID 119864117
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-(4-methylpyrimidin-2-yl)oxyphenyl]piperidine-4-carboxamide
CID 119340024
(2S,4S)-2-methyl-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 120642212
N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide
CID 119266283
N-[4-(3-amino-3-oxopropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119294944

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride (CID 119864102) is N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)C1CCNCC1.
What is the InChIKey of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is LEKQRJDWTDPQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2.2ClH/c18-13-1-6-16(20-11-13)23-15-4-2-14(3-5-15)21-17(22)12-7-9-19-10-8-12;;/h1-6,11-12,19H,7-10H2,(H,21,22);2*1H.
What are the key properties of N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride?
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 404.73 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119864102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).