N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide

C26H33ClN2O3S — CID 142124684

IUPACN-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(CC1CCCN(CCC(=O)C2(c3ccc(Cl)cc3)CCC2)C1)c1ccccc1
InChIInChI=1S/C26H33ClN2O3S/c1-33(31,32)29(24-8-3-2-4-9-24)20-21-7-5-17-28(19-21)18-14-25(30)26(15-6-16-26)22-10-12-23(27)13-11-22/h2-4,8-13,21H,5-7,14-20H2,1H3
InChIKeyULTXUMAAQZRZOU-UHFFFAOYSA-N
MW489.08 g/mol
LogP4.90
Rot. Bonds9

About N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide

N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide (PubChem CID 142124684) has the molecular formula C26H33ClN2O3S and a molecular weight of 489.08 g/mol. Its IUPAC name is N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide
PubChem CID142124684
Molecular FormulaC26H33ClN2O3S
Molecular Weight489.08 g/mol
Exact Mass488.19
IUPAC NameN-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(CC1CCCN(CCC(=O)C2(c3ccc(Cl)cc3)CCC2)C1)c1ccccc1
InChIInChI=1S/C26H33ClN2O3S/c1-33(31,32)29(24-8-3-2-4-9-24)20-21-7-5-17-28(19-21)18-14-25(30)26(15-6-16-26)22-10-12-23(27)13-11-22/h2-4,8-13,21H,5-7,14-20H2,1H3
InChIKeyULTXUMAAQZRZOU-UHFFFAOYSA-N
XLogP4.90
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.08
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl-[(3R)-3-[(N-methylsulfonylanilino)methyl]piperidin-1-yl]borinic acid
CID 59991008
1-[1-(4-chlorophenyl)cyclobutyl]-2-[3-[[4-(trifluoromethoxy)phenoxy]methyl]piperidin-1-yl]ethanone
CID 58737442
N-[[(3S)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 42191738
N-[[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-3-yl]methyl]aniline;N-[[1-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidin-3-yl]methyl]-N-methylaniline;iodomethane;oxolane
CID 159395104
[1-(4-chlorophenyl)cyclobutyl]-[3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]piperidin-1-yl]methanone
CID 11477295
tris(1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-3-(phenoxymethyl)piperidine);[1-(4-chlorophenyl)cyclobutyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 161196249
1-(4-chlorophenyl)-N-[[(3S)-1-(3-methylsulfanylpropyl)piperidin-3-yl]methyl]cyclopropane-1-carboxamide
CID 42401799
1-phenyl-N-[[(3R)-1-propylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 94488648
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
N-[[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 97275485
N-(4-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 111750178
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-phenylmethanesulfonamide
CID 113153646

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide (CID 142124684) is N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide is CS(=O)(=O)N(CC1CCCN(CCC(=O)C2(c3ccc(Cl)cc3)CCC2)C1)c1ccccc1.
What is the InChIKey of N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide?
The InChIKey is ULTXUMAAQZRZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClN2O3S/c1-33(31,32)29(24-8-3-2-4-9-24)20-21-7-5-17-28(19-21)18-14-25(30)26(15-6-16-26)22-10-12-23(27)13-11-22/h2-4,8-13,21H,5-7,14-20H2,1H3.
What are the key properties of N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide?
N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide has a molecular weight of 489.08 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[1-(4-chlorophenyl)cyclobutyl]-3-oxopropyl]piperidin-3-yl]methyl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 142124684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).