1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide

C17H34N4O3S — CID 69356286

IUPAC1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
SMILESCC(C)CN1CCN(S(=O)(=O)CCCN2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-15(2)14-20-9-11-21(12-10-20)25(23,24)13-3-6-19-7-4-16(5-8-19)17(18)22/h15-16H,3-14H2,1-2H3,(H2,18,22)
InChIKeyZRDWSXGRDVMEQL-UHFFFAOYSA-N
MW374.55 g/mol
LogP0.18
Rot. Bonds8

About 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide

1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide (PubChem CID 69356286) has the molecular formula C17H34N4O3S and a molecular weight of 374.55 g/mol. Its IUPAC name is 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
PubChem CID69356286
Molecular FormulaC17H34N4O3S
Molecular Weight374.55 g/mol
Exact Mass374.24
IUPAC Name1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide
SMILESCC(C)CN1CCN(S(=O)(=O)CCCN2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H34N4O3S/c1-15(2)14-20-9-11-21(12-10-20)25(23,24)13-3-6-19-7-4-16(5-8-19)17(18)22/h15-16H,3-14H2,1-2H3,(H2,18,22)
InChIKeyZRDWSXGRDVMEQL-UHFFFAOYSA-N
XLogP0.18
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.55
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide (CID 69356286) is 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide is CC(C)CN1CCN(S(=O)(=O)CCCN2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
The InChIKey is ZRDWSXGRDVMEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4O3S/c1-15(2)14-20-9-11-21(12-10-20)25(23,24)13-3-6-19-7-4-16(5-8-19)17(18)22/h15-16H,3-14H2,1-2H3,(H2,18,22).
What are the key properties of 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide?
1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide has a molecular weight of 374.55 g/mol, XLogP of 0.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methylpropyl)piperazin-1-yl]sulfonylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 69356286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).