N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide

C15H28FN3OS — CID 138607830

IUPACN-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide
SMILESCCSC(C)N1CCC(NC(=O)N2CCC(F)CC2)CC1
InChIInChI=1S/C15H28FN3OS/c1-3-21-12(2)18-10-6-14(7-11-18)17-15(20)19-8-4-13(16)5-9-19/h12-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyZLOPFBPKBZBBRX-UHFFFAOYSA-N
MW317.47 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide

N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide (PubChem CID 138607830) has the molecular formula C15H28FN3OS and a molecular weight of 317.47 g/mol. Its IUPAC name is N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide
PubChem CID138607830
Molecular FormulaC15H28FN3OS
Molecular Weight317.47 g/mol
Exact Mass317.19
IUPAC NameN-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide
SMILESCCSC(C)N1CCC(NC(=O)N2CCC(F)CC2)CC1
InChIInChI=1S/C15H28FN3OS/c1-3-21-12(2)18-10-6-14(7-11-18)17-15(20)19-8-4-13(16)5-9-19/h12-14H,3-11H2,1-2H3,(H,17,20)
InChIKeyZLOPFBPKBZBBRX-UHFFFAOYSA-N
XLogP2.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-2,2-dimethylthiomorpholine-4-carboxamide
CID 71859652
1-(2-Methyl-2-methylsulfanylpropyl)-3-(1-methylpiperidin-4-yl)urea
CID 71985730
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methyl-2-methylsulfanylpropyl)urea
CID 84585145
4-(1-methylpiperidin-4-yl)-N-(3-methylsulfanylpropyl)piperazine-1-carboxamide
CID 172437240
N-[1-(2-methylprop-2-enyl)piperidin-4-yl]thiomorpholine-4-carboxamide
CID 56781551
2,2-Dimethyl-N-[(1-methylpiperidin-3-YL)methyl]thiomorpholine-4-carboxamide
CID 71859649
4-fluoro-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 124199505
3-fluoro-N-(1-methylpiperidin-4-yl)piperidine-1-carboxamide
CID 124199507
4-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 126752756
3-fluoro-N-(1-propan-2-ylpiperidin-4-yl)piperidine-1-carboxamide
CID 126752758
3,3-difluoro-N-(1-methylsulfanylpiperidin-4-yl)piperidine-1-carboxamide
CID 135177486
N-(1-ethylpiperidin-4-yl)-3-fluoropiperidine-1-carboxamide
CID 135177533

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide?
The IUPAC name of N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide (CID 138607830) is N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide?
The canonical SMILES for N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide is CCSC(C)N1CCC(NC(=O)N2CCC(F)CC2)CC1.
What is the InChIKey of N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide?
The InChIKey is ZLOPFBPKBZBBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3OS/c1-3-21-12(2)18-10-6-14(7-11-18)17-15(20)19-8-4-13(16)5-9-19/h12-14H,3-11H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide?
N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide has a molecular weight of 317.47 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylsulfanylethyl)piperidin-4-yl]-4-fluoropiperidine-1-carboxamide is sourced from PubChem (CID 138607830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).