N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide

C20H25N3O2S — CID 71800731

IUPACN-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(CSc3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-18-7-5-16(6-8-18)14-22-20(24)23-12-9-17(10-13-23)15-26-19-4-2-3-11-21-19/h2-8,11,17H,9-10,12-15H2,1H3,(H,22,24)
InChIKeyWJSGOFRPWGRQSC-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.80
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide (PubChem CID 71800731) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide
PubChem CID71800731
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(CSc3ccccn3)CC2)cc1
InChIInChI=1S/C20H25N3O2S/c1-25-18-7-5-16(6-8-18)14-22-20(24)23-12-9-17(10-13-23)15-26-19-4-2-3-11-21-19/h2-8,11,17H,9-10,12-15H2,1H3,(H,22,24)
InChIKeyWJSGOFRPWGRQSC-UHFFFAOYSA-N
XLogP3.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine-1-carboxamide
CID 71800888
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
(3S)-3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 95112501
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
4-(methanesulfonamido)-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 53498362
N-benzyl-4-[(4-methoxybenzoyl)amino]piperidine-1-carboxamide
CID 24793478
N-[(4-methoxyphenyl)methyl]morpholine-4-carboxamide
CID 669628
N-[(4-methoxyphenyl)methyl]-7-(2-methylphenyl)-1,4-thiazepane-4-carboxamide
CID 90631414
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
methyl 2-[1-[(4-methoxyphenyl)methylcarbamoyl]piperidin-4-yl]sulfonylacetate
CID 71809168
4-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 108989094

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide (CID 71800731) is N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(CSc3ccccn3)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide?
The InChIKey is WJSGOFRPWGRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-25-18-7-5-16(6-8-18)14-22-20(24)23-12-9-17(10-13-23)15-26-19-4-2-3-11-21-19/h2-8,11,17H,9-10,12-15H2,1H3,(H,22,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide?
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide has a molecular weight of 371.51 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylsulfanylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71800731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).