N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide

C17H18ClN3O2 — CID 90566112

IUPACN-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-1-4-14(11-13)20-17(22)21-9-6-15(7-10-21)23-16-5-2-8-19-12-16/h1-5,8,11-12,15H,6-7,9-10H2,(H,20,22)
InChIKeyNQZVTTYRYJUJDR-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.81
Rot. Bonds3

About N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide

N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide (PubChem CID 90566112) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
PubChem CID90566112
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)N1CCC(Oc2cccnc2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-1-4-14(11-13)20-17(22)21-9-6-15(7-10-21)23-16-5-2-8-19-12-16/h1-5,8,11-12,15H,6-7,9-10H2,(H,20,22)
InChIKeyNQZVTTYRYJUJDR-UHFFFAOYSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-4-(2-pyridin-3-yloxyethyl)piperidine-1-carboxamide
CID 53151028
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
N-(3-chlorophenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798778
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N-(3-chlorophenyl)-3-(1,3-thiazol-2-yloxy)pyrrolidine-1-carboxamide
CID 121150643
N-(3-chlorophenyl)-4-propan-2-ylpiperidine-1-carboxamide
CID 59001093
N-[4-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 72930379
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
N-(4-chlorophenyl)-4-(4-pyridin-4-yloxypiperidin-1-yl)piperidine-1-carboxamide
CID 90617413
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide (CID 90566112) is N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC(Oc2cccnc2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
The InChIKey is NQZVTTYRYJUJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-3-1-4-14(11-13)20-17(22)21-9-6-15(7-10-21)23-16-5-2-8-19-12-16/h1-5,8,11-12,15H,6-7,9-10H2,(H,20,22).
What are the key properties of N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide?
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 90566112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).