N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide

C16H20ClN3O2S — CID 119698375

IUPACN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2nc3cc(Cl)ccc3s2)CCNCC1
InChIInChI=1S/C16H20ClN3O2S/c1-22-16(5-8-18-9-6-16)15(21)19-7-4-14-20-12-10-11(17)2-3-13(12)23-14/h2-3,10,18H,4-9H2,1H3,(H,19,21)
InChIKeyPYHPRQNURREKNH-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.38
Rot. Bonds5

About N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119698375) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119698375
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCCc2nc3cc(Cl)ccc3s2)CCNCC1
InChIInChI=1S/C16H20ClN3O2S/c1-22-16(5-8-18-9-6-16)15(21)19-7-4-14-20-12-10-11(17)2-3-13(12)23-14/h2-3,10,18H,4-9H2,1H3,(H,19,21)
InChIKeyPYHPRQNURREKNH-UHFFFAOYSA-N
XLogP2.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119891778
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119698372
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-(methylamino)butanamide
CID 119698347
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119698358
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 119698367
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119896020
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
N-[2-(3-bromo-4-fluorophenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119742392
(2S)-2-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119698364
4-amino-N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]butanamide
CID 119275972
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide (CID 119698375) is N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCCc2nc3cc(Cl)ccc3s2)CCNCC1.
What is the InChIKey of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is PYHPRQNURREKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-22-16(5-8-18-9-6-16)15(21)19-7-4-14-20-12-10-11(17)2-3-13(12)23-14/h2-3,10,18H,4-9H2,1H3,(H,19,21).
What are the key properties of N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 353.88 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119698375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).