N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide

C18H28N2O3S — CID 77081003

IUPACN-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2cccc(OC3CCCC3)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)19-16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-3-7-17/h4-5,8,13,16-17,19H,2-3,6-7,9-12,14H2,1H3
InChIKeyDPJAPBCKICSJMF-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.52
Rot. Bonds6

About N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide

N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide (PubChem CID 77081003) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
PubChem CID77081003
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCN(Cc2cccc(OC3CCCC3)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-24(21,22)19-16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-3-7-17/h4-5,8,13,16-17,19H,2-3,6-7,9-12,14H2,1H3
InChIKeyDPJAPBCKICSJMF-UHFFFAOYSA-N
XLogP2.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860
(3S)-1-[(3-cyclopentyloxyphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 99959391
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]cyclopropanesulfonamide
CID 146074496
(3-ethylphenoxy)cyclooctane
CID 91220327
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
CID 122040362
N-[(3-cycloheptyloxyphenyl)methyl]cyclopropanamine
CID 82927729
N-[1-[(2-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 70726913
N-[(3R)-1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 97159828
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanesulfonamide
CID 47134698
N-[1-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 162632987
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide (CID 77081003) is N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide is CS(=O)(=O)NC1CCN(Cc2cccc(OC3CCCC3)c2)CC1.
What is the InChIKey of N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
The InChIKey is DPJAPBCKICSJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-24(21,22)19-16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-3-7-17/h4-5,8,13,16-17,19H,2-3,6-7,9-12,14H2,1H3.
What are the key properties of N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide?
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide has a molecular weight of 352.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 77081003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).