[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

C19H29N3O4S — CID 128509588

IUPAC[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(COC1CCCC1)CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C19H29N3O4S/c1-16(14-26-17-6-2-3-7-17)15-27(24,25)22-12-10-21(11-13-22)19(23)18-8-4-5-9-20-18/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3
InChIKeyVNCPVKZGOWLJTF-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.76
Rot. Bonds7

About [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 128509588) has the molecular formula C19H29N3O4S and a molecular weight of 395.53 g/mol. Its IUPAC name is [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID128509588
Molecular FormulaC19H29N3O4S
Molecular Weight395.53 g/mol
Exact Mass395.19
IUPAC Name[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(COC1CCCC1)CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1
InChIInChI=1S/C19H29N3O4S/c1-16(14-26-17-6-2-3-7-17)15-27(24,25)22-12-10-21(11-13-22)19(23)18-8-4-5-9-20-18/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3
InChIKeyVNCPVKZGOWLJTF-UHFFFAOYSA-N
XLogP1.76
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 146149234
[4-(2-methylpropylsulfonyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 90589965
[4-[(4-methylphenyl)methylsulfonyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 110805305
[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 55652947
N-methyl-N-propan-2-yl-1-(pyridine-2-carbonyl)piperidine-4-carboxamide
CID 86983172
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
[4-[4-(2-methylpropyl)pyrazol-1-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 164836489
[(3aS,8aR)-2-(2-methylpropyl)-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-pyridin-2-ylmethanone
CID 125212157
[4-(piperidine-1-carbonyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 30346280
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[(3aS,8aS)-2-(3-methylbutyl)-1,1-dioxo-3a,4,5,7,8,8a-hexahydro-3H-[1,2]thiazolo[4,5-d]azepin-6-yl]-pyridin-2-ylmethanone
CID 124825122

Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 128509588) is [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is CC(COC1CCCC1)CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1.
What is the InChIKey of [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is VNCPVKZGOWLJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O4S/c1-16(14-26-17-6-2-3-7-17)15-27(24,25)22-12-10-21(11-13-22)19(23)18-8-4-5-9-20-18/h4-5,8-9,16-17H,2-3,6-7,10-15H2,1H3.
What are the key properties of [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 395.53 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 128509588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).