N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide

C16H23FN2O2S — CID 119683968

IUPACN-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCSc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C16H23FN2O2S/c1-21-16(7-10-18-11-8-16)15(20)19-9-2-12-22-14-5-3-13(17)4-6-14/h3-6,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyBFPFJKGNLVNWSO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.19
Rot. Bonds7

About N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119683968) has the molecular formula C16H23FN2O2S and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119683968
Molecular FormulaC16H23FN2O2S
Molecular Weight326.44 g/mol
Exact Mass326.15
IUPAC NameN-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCSc2ccc(F)cc2)CCNCC1
InChIInChI=1S/C16H23FN2O2S/c1-21-16(7-10-18-11-8-16)15(20)19-9-2-12-22-14-5-3-13(17)4-6-14/h3-6,18H,2,7-12H2,1H3,(H,19,20)
InChIKeyBFPFJKGNLVNWSO-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119683967
N-[3-[(4-fluorobenzoyl)amino]propyl]-4-methoxypiperidine-4-carboxamide
CID 119783001
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896389
1-amino-N-[3-(4-fluorophenyl)sulfanylpropyl]cyclopentane-1-carboxamide
CID 119268295
N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 124588204
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119850677
4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119696231
N-[2-(2,6-difluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119722583
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide (CID 119683968) is N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCCSc2ccc(F)cc2)CCNCC1.
What is the InChIKey of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is BFPFJKGNLVNWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2S/c1-21-16(7-10-18-11-8-16)15(20)19-9-2-12-22-14-5-3-13(17)4-6-14/h3-6,18H,2,7-12H2,1H3,(H,19,20).
What are the key properties of N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)sulfanylpropyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119683968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).