[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate

C24H35N3O3S — CID 67246238

IUPAC[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate
SMILESCCCSc1nc(N2CCC(OC(=O)C3CC3)CC2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H35N3O3S/c1-2-16-31-23-20(22(28)25-18-6-4-3-5-7-18)10-11-21(26-23)27-14-12-19(13-15-27)30-24(29)17-8-9-17/h10-11,17-19H,2-9,12-16H2,1H3,(H,25,28)
InChIKeyKAOOUJOPOBSOJI-UHFFFAOYSA-N
MW445.63 g/mol
LogP4.57
Rot. Bonds8

About [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate

[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate (PubChem CID 67246238) has the molecular formula C24H35N3O3S and a molecular weight of 445.63 g/mol. Its IUPAC name is [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate
PubChem CID67246238
Molecular FormulaC24H35N3O3S
Molecular Weight445.63 g/mol
Exact Mass445.24
IUPAC Name[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate
SMILESCCCSc1nc(N2CCC(OC(=O)C3CC3)CC2)ccc1C(=O)NC1CCCCC1
InChIInChI=1S/C24H35N3O3S/c1-2-16-31-23-20(22(28)25-18-6-4-3-5-7-18)10-11-21(26-23)27-14-12-19(13-15-27)30-24(29)17-8-9-17/h10-11,17-19H,2-9,12-16H2,1H3,(H,25,28)
InChIKeyKAOOUJOPOBSOJI-UHFFFAOYSA-N
XLogP4.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.63
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-4-yl)-6-piperidin-1-yl-2-propylsulfanylpyridine-3-carboxamide
CID 141207988
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl]-2-methylpropanoic acid
CID 24947351
2-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]oxypropanoic acid
CID 24947349
4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]cyclohexane-1-carboxylic acid;1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-4-propan-2-ylpiperidine-4-carboxylic acid
CID 68564127
4-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 24946798
3-[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-3-yl]propanoic acid;2-[(3R)-1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]pyrrolidin-3-yl]acetic acid
CID 162253105
1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-1-ium-1-carboxylic acid
CID 69178250
(3S)-1-[5-(2-adamantylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]pyrrolidine-3-carboxylic acid
CID 24947908
3-[[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]amino]propanoic acid
CID 24946976
1-[5-(hexan-3-ylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidine-4-carboxylic acid
CID 58000857
methyl 2-[(3S)-1-[5-(cyclohexylcarbamoyl)-6-(2-phenylethylsulfanyl)-2-pyridinyl]piperidin-3-yl]acetate
CID 59830718
2-[4-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]-2-hydroxyphenyl]acetic acid
CID 151010062

Frequently Asked Questions

What is the IUPAC name of [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate?
The IUPAC name of [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate (CID 67246238) is [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate.
What is the SMILES notation for [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate?
The canonical SMILES for [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate is CCCSc1nc(N2CCC(OC(=O)C3CC3)CC2)ccc1C(=O)NC1CCCCC1.
What is the InChIKey of [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate?
The InChIKey is KAOOUJOPOBSOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3S/c1-2-16-31-23-20(22(28)25-18-6-4-3-5-7-18)10-11-21(26-23)27-14-12-19(13-15-27)30-24(29)17-8-9-17/h10-11,17-19H,2-9,12-16H2,1H3,(H,25,28).
What are the key properties of [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate?
[1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate has a molecular weight of 445.63 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(cyclohexylcarbamoyl)-6-propylsulfanyl-2-pyridinyl]piperidin-4-yl] cyclopropanecarboxylate is sourced from PubChem (CID 67246238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).