N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C24H25N3O3S — CID 78875900

IUPACN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C24H25N3O3S/c28-23(21-10-2-4-13-27(21)24(29)22-11-6-14-31-22)26-16-18-7-5-9-20(15-18)30-17-19-8-1-3-12-25-19/h1,3,5-9,11-12,14-15,21H,2,4,10,13,16-17H2,(H,26,28)
InChIKeyPAWQYHGRZCDCRE-UHFFFAOYSA-N
MW435.55 g/mol
LogP4.03
Rot. Bonds7

About N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78875900) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78875900
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C24H25N3O3S/c28-23(21-10-2-4-13-27(21)24(29)22-11-6-14-31-22)26-16-18-7-5-9-20(15-18)30-17-19-8-1-3-12-25-19/h1,3,5-9,11-12,14-15,21H,2,4,10,13,16-17H2,(H,26,28)
InChIKeyPAWQYHGRZCDCRE-UHFFFAOYSA-N
XLogP4.03
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78876209
(2S)-N-[(2-methylpyrimidin-4-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124626241
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55709282
N-benzyl-1-[1-(thiophene-2-carbonyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 24674548
(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851
(2S)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 55938910
4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide
CID 166255192
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40953123

Frequently Asked Questions

What is the IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78875900) is N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is PAWQYHGRZCDCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c28-23(21-10-2-4-13-27(21)24(29)22-11-6-14-31-22)26-16-18-7-5-9-20(15-18)30-17-19-8-1-3-12-25-19/h1,3,5-9,11-12,14-15,21H,2,4,10,13,16-17H2,(H,26,28).
What are the key properties of N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 435.55 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78875900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).