N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C18H26N2O4S — CID 74233149

IUPACN-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1
InChIInChI=1S/C18H26N2O4S/c1-24-14-18(10-5-11-18)17(21)19-15-8-12-20(13-9-15)25(22,23)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3,(H,19,21)
InChIKeyZSQBOXIGIKVJHW-UHFFFAOYSA-N
MW366.48 g/mol
LogP1.77
Rot. Bonds6

About N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 74233149) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID74233149
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1
InChIInChI=1S/C18H26N2O4S/c1-24-14-18(10-5-11-18)17(21)19-15-8-12-20(13-9-15)25(22,23)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3,(H,19,21)
InChIKeyZSQBOXIGIKVJHW-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
N-[1-(benzenesulfonyl)piperidin-4-yl]butanamide
CID 61073647
tert-butyl N-[1-(benzenesulfonyl)piperidin-4-yl]carbamate
CID 46318295
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3-phenoxypropanamide
CID 108561671
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
[4-(benzenesulfonyl)piperazin-1-yl]-[4-(methoxymethyl)piperidin-4-yl]methanone;hydrochloride
CID 120616987
N-[(3S)-1-(benzenesulfonyl)pyrrolidin-3-yl]-1-phenylsulfanylcyclopropane-1-carboxamide
CID 11697033
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 74238551
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-3-[(2-phenylacetyl)amino]propanamide
CID 24611994
4-(methoxymethyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 120641523
N-[1-(benzenesulfonyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560006

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 74233149) is N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1.
What is the InChIKey of N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is ZSQBOXIGIKVJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-24-14-18(10-5-11-18)17(21)19-15-8-12-20(13-9-15)25(22,23)16-6-3-2-4-7-16/h2-4,6-7,15H,5,8-14H2,1H3,(H,19,21).
What are the key properties of N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 366.48 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)piperidin-4-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 74233149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).