3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide

C18H29N3OS — CID 72926078

IUPAC3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
SMILESCN1CCCC(CCC(=O)NCCc2nc3c(s2)CCCC3)C1
InChIInChI=1S/C18H29N3OS/c1-21-12-4-5-14(13-21)8-9-17(22)19-11-10-18-20-15-6-2-3-7-16(15)23-18/h14H,2-13H2,1H3,(H,19,22)
InChIKeyJEWGNFSSXVDTTJ-UHFFFAOYSA-N
MW335.52 g/mol
LogP2.80
Rot. Bonds6

About 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide

3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide (PubChem CID 72926078) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
PubChem CID72926078
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
SMILESCN1CCCC(CCC(=O)NCCc2nc3c(s2)CCCC3)C1
InChIInChI=1S/C18H29N3OS/c1-21-12-4-5-14(13-21)8-9-17(22)19-11-10-18-20-15-6-2-3-7-16(15)23-18/h14H,2-13H2,1H3,(H,19,22)
InChIKeyJEWGNFSSXVDTTJ-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide (CID 72926078) is 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide is CN1CCCC(CCC(=O)NCCc2nc3c(s2)CCCC3)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide?
The InChIKey is JEWGNFSSXVDTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-21-12-4-5-14(13-21)8-9-17(22)19-11-10-18-20-15-6-2-3-7-16(15)23-18/h14H,2-13H2,1H3,(H,19,22).
What are the key properties of 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide?
3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide has a molecular weight of 335.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 72926078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).