N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide

C16H21FN2O3S — CID 56812467

IUPACN-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H21FN2O3S/c1-23(21,22)18-14-3-2-10-19(11-14)15(20)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,14,18H,2-3,8-11H2,1H3
InChIKeyJFHDTZGJXAXYIP-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.40
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide

N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide (PubChem CID 56812467) has the molecular formula C16H21FN2O3S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
PubChem CID56812467
Molecular FormulaC16H21FN2O3S
Molecular Weight340.42 g/mol
Exact Mass340.13
IUPAC NameN-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C16H21FN2O3S/c1-23(21,22)18-14-3-2-10-19(11-14)15(20)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,14,18H,2-3,8-11H2,1H3
InChIKeyJFHDTZGJXAXYIP-UHFFFAOYSA-N
XLogP1.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 55679047
[1-(4-fluorophenyl)cyclopentyl]-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119398088
N-[(3S)-1-(7-fluorobicyclo[4.1.0]heptane-7-carbonyl)piperidin-3-yl]methanesulfonamide
CID 166310642
N-cyclopropyl-1-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxamide
CID 49352658
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
CID 138997785
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
N-[1-(2,2,2-trifluoroacetyl)piperidin-3-yl]methanesulfonamide
CID 62490631
[1-(4-methylsulfonylphenyl)cyclobutyl]-(3-propan-2-ylpiperidin-1-yl)methanone
CID 91793765
N-[1-(4-aminobenzoyl)piperidin-3-yl]methanesulfonamide
CID 60945770
[1-(3,5-dimethylphenyl)cyclopropyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119490422
(3S)-N-[(1S)-1-(3-fluorophenyl)ethyl]-3-(methanesulfonamido)piperidine-1-carboxamide
CID 94179451

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide (CID 56812467) is N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide is CS(=O)(=O)NC1CCCN(C(=O)C2(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide?
The InChIKey is JFHDTZGJXAXYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3S/c1-23(21,22)18-14-3-2-10-19(11-14)15(20)16(8-9-16)12-4-6-13(17)7-5-12/h4-7,14,18H,2-3,8-11H2,1H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide?
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide has a molecular weight of 340.42 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide is sourced from PubChem (CID 56812467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).