N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide

C17H18ClN3O2 — CID 119864063

IUPACN-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CCCNC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-6-15(7-4-13)23-16-8-5-14(11-20-16)21-17(22)12-2-1-9-19-10-12/h3-8,11-12,19H,1-2,9-10H2,(H,21,22)
InChIKeyUJCACPAIHQZWGG-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.47
Rot. Bonds4

About N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide

N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide (PubChem CID 119864063) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
PubChem CID119864063
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CCCNC1
InChIInChI=1S/C17H18ClN3O2/c18-13-3-6-15(7-4-13)23-16-8-5-14(11-20-16)21-17(22)12-2-1-9-19-10-12/h3-8,11-12,19H,1-2,9-10H2,(H,21,22)
InChIKeyUJCACPAIHQZWGG-UHFFFAOYSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
CID 81426071
N-[6-(3-carbamoylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119872961
N-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119864102
N-[6-(3-ethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide;dihydrochloride
CID 119858521
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[6-(4-fluorophenoxy)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 119849104
N-[6-(2-methoxyethoxy)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 55150610
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
(3R)-N-[4-(difluoromethoxy)phenyl]piperidine-3-carboxamide
CID 81123871

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide (CID 119864063) is N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide is O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)C1CCCNC1.
What is the InChIKey of N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide?
The InChIKey is UJCACPAIHQZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-13-3-6-15(7-4-13)23-16-8-5-14(11-20-16)21-17(22)12-2-1-9-19-10-12/h3-8,11-12,19H,1-2,9-10H2,(H,21,22).
What are the key properties of N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide?
N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 119864063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).