1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C22H22ClN3O2S — CID 45233230

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C22H22ClN3O2S/c23-21-10-9-18(29-21)15-26-12-4-5-16(14-26)22(27)25-19-7-1-2-8-20(19)28-17-6-3-11-24-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2,(H,25,27)
InChIKeyNXCWWZLTLNUJRI-UHFFFAOYSA-N
MW427.96 g/mol
LogP5.44
Rot. Bonds6

About 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 45233230) has the molecular formula C22H22ClN3O2S and a molecular weight of 427.96 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID45233230
Molecular FormulaC22H22ClN3O2S
Molecular Weight427.96 g/mol
Exact Mass427.11
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Oc1cccnc1)C1CCCN(Cc2ccc(Cl)s2)C1
InChIInChI=1S/C22H22ClN3O2S/c23-21-10-9-18(29-21)15-26-12-4-5-16(14-26)22(27)25-19-7-1-2-8-20(19)28-17-6-3-11-24-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2,(H,25,27)
InChIKeyNXCWWZLTLNUJRI-UHFFFAOYSA-N
XLogP5.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.96
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[(5-ethylfuran-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25288806
(3R)-1-[(2-methylpyrimidin-5-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25275507
(3R)-1-(2-phenylethyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42199128
(3R)-1-(3-hydroxy-2,2-dimethylpropyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 42101490
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 25289271
1-(1H-imidazole-5-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45230988
N-(2-pyridin-3-yloxyphenyl)-1-(thiadiazole-4-carbonyl)piperidine-3-carboxamide
CID 45218608
(3S)-1-(6-methylpyrimidin-4-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97273822
(2R)-1-methyl-N-(2-pyridin-3-yloxyphenyl)pyrrolidine-2-carboxamide
CID 51904119
(3S)-1-(4-cyano-2-pyridinyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 97275244
1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
CID 45185070
N-(5-chloro-2-phenoxyphenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924914

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 45233230) is 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)C1CCCN(Cc2ccc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is NXCWWZLTLNUJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2S/c23-21-10-9-18(29-21)15-26-12-4-5-16(14-26)22(27)25-19-7-1-2-8-20(19)28-17-6-3-11-24-13-17/h1-3,6-11,13,16H,4-5,12,14-15H2,(H,25,27).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 427.96 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 45233230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).