N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide

C19H27N3O2S — CID 94375623

IUPACN-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide
SMILESCCOC1CCN(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H27N3O2S/c1-3-24-15-8-10-22(11-9-15)13-18(23)20-12-14(2)19-21-16-6-4-5-7-17(16)25-19/h4-7,14-15H,3,8-13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyHNDIMVUHDSARTG-CQSZACIVSA-N
MW361.51 g/mol
LogP3.02
Rot. Bonds7

About N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide

N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide (PubChem CID 94375623) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide
PubChem CID94375623
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC NameN-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide
SMILESCCOC1CCN(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)CC1
InChIInChI=1S/C19H27N3O2S/c1-3-24-15-8-10-22(11-9-15)13-18(23)20-12-14(2)19-21-16-6-4-5-7-17(16)25-19/h4-7,14-15H,3,8-13H2,1-2H3,(H,20,23)/t14-/m1/s1
InChIKeyHNDIMVUHDSARTG-CQSZACIVSA-N
XLogP3.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-(1,3-benzothiazol-2-yl)propylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 49433659
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 86858144
N-[2-(1,3-benzothiazol-2-yl)propyl]-3-(4-ethoxyphenyl)propanamide
CID 86858183
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 9391063
N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-1-methoxypropan-2-yl]-methylamino]acetamide
CID 94375513
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)acetamide
CID 9336826
(1S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019867
(1R)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]cyclohex-3-ene-1-carboxamide
CID 97019865
2-(4-ethoxypiperidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 52728905
2-(4-ethoxypiperidin-1-yl)-N-phenylacetamide
CID 47358518
2-[4-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-pentan-3-ylacetamide
CID 30621769
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
The IUPAC name of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide (CID 94375623) is N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide is CCOC1CCN(CC(=O)NC[C@@H](C)c2nc3ccccc3s2)CC1.
What is the InChIKey of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
The InChIKey is HNDIMVUHDSARTG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-3-24-15-8-10-22(11-9-15)13-18(23)20-12-14(2)19-21-16-6-4-5-7-17(16)25-19/h4-7,14-15H,3,8-13H2,1-2H3,(H,20,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide?
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide has a molecular weight of 361.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2-(4-ethoxypiperidin-1-yl)acetamide is sourced from PubChem (CID 94375623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).