[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone

C16H23N3O3S — CID 146149234

IUPAC[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1)C1CC1
InChIInChI=1S/C16H23N3O3S/c1-13(14-5-6-14)12-23(21,22)19-10-8-18(9-11-19)16(20)15-4-2-3-7-17-15/h2-4,7,13-14H,5-6,8-12H2,1H3
InChIKeyVBHHBDSTCAGNLL-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.22
Rot. Bonds5

About [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone

[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 146149234) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID146149234
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone
SMILESCC(CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1)C1CC1
InChIInChI=1S/C16H23N3O3S/c1-13(14-5-6-14)12-23(21,22)19-10-8-18(9-11-19)16(20)15-4-2-3-7-17-15/h2-4,7,13-14H,5-6,8-12H2,1H3
InChIKeyVBHHBDSTCAGNLL-UHFFFAOYSA-N
XLogP1.22
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-cyclopentyloxy-2-methylpropyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 128509588
[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-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
[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
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
[4-methylsulfonyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110252413
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 9496675

Frequently Asked Questions

What is the IUPAC name of [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone (CID 146149234) is [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone is CC(CS(=O)(=O)N1CCN(C(=O)c2ccccn2)CC1)C1CC1.
What is the InChIKey of [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is VBHHBDSTCAGNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13(14-5-6-14)12-23(21,22)19-10-8-18(9-11-19)16(20)15-4-2-3-7-17-15/h2-4,7,13-14H,5-6,8-12H2,1H3.
What are the key properties of [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone?
[4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 337.45 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-cyclopropylpropylsulfonyl)piperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 146149234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).