N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide

C16H21N3OS — CID 107805165

IUPACN-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc3ncsc3c2)CCCNC1
InChIInChI=1S/C16H21N3OS/c1-2-6-16(7-3-8-17-10-16)15(20)19-12-4-5-13-14(9-12)21-11-18-13/h4-5,9,11,17H,2-3,6-8,10H2,1H3,(H,19,20)
InChIKeyXUBLRHMHKUCODP-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.40
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide

N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide (PubChem CID 107805165) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide
PubChem CID107805165
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2ccc3ncsc3c2)CCCNC1
InChIInChI=1S/C16H21N3OS/c1-2-6-16(7-3-8-17-10-16)15(20)19-12-4-5-13-14(9-12)21-11-18-13/h4-5,9,11,17H,2-3,6-8,10H2,1H3,(H,19,20)
InChIKeyXUBLRHMHKUCODP-UHFFFAOYSA-N
XLogP3.40
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzothiophen-5-yl)-3-propylpiperidine-3-carboxamide
CID 63130559
N-(3-ethynylphenyl)-3-propylpiperidine-3-carboxamide
CID 63132227
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
N-(3-chloro-2-pyridinyl)-3-propylpiperidine-3-carboxamide
CID 103094157
N-(2-ethoxyphenyl)-3-propylpiperidine-3-carboxamide
CID 63132468
N-(1-ethylpyrazol-4-yl)-3-propylpiperidine-3-carboxamide
CID 55166040
N-(4-hydroxy-2,5-dimethylphenyl)-3-propylpiperidine-3-carboxamide
CID 106954421
N-(1H-indol-5-yl)-3-propylpyrrolidine-3-carboxamide
CID 63141613
3-propyl-N-(2,3,4-trifluorophenyl)piperidine-3-carboxamide
CID 63132688
N-[3-(methylcarbamoyl)phenyl]-3-propylpyrrolidine-3-carboxamide
CID 63141667
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide (CID 107805165) is N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)Nc2ccc3ncsc3c2)CCCNC1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide?
The InChIKey is XUBLRHMHKUCODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-6-16(7-3-8-17-10-16)15(20)19-12-4-5-13-14(9-12)21-11-18-13/h4-5,9,11,17H,2-3,6-8,10H2,1H3,(H,19,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide?
N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 107805165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).