N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C16H29Cl2N3OS — CID 119891775

IUPACN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCc1nc(CCNC(=O)CC(C)C2CCNCC2)sc1C.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-11(14-4-7-17-8-5-14)10-15(20)18-9-6-16-19-12(2)13(3)21-16;;/h11,14,17H,4-10H2,1-3H3,(H,18,20);2*1H
InChIKeyQXOLTPCKLIZJRC-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119891775) has the molecular formula C16H29Cl2N3OS and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119891775
Molecular FormulaC16H29Cl2N3OS
Molecular Weight382.40 g/mol
Exact Mass381.14
IUPAC NameN-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCc1nc(CCNC(=O)CC(C)C2CCNCC2)sc1C.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-11(14-4-7-17-8-5-14)10-15(20)18-9-6-16-19-12(2)13(3)21-16;;/h11,14,17H,4-10H2,1-3H3,(H,18,20);2*1H
InChIKeyQXOLTPCKLIZJRC-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119891776
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018
N-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119698372
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-(2,6-difluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722580
4-amino-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 120565744
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119681420

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119891775) is N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is Cc1nc(CCNC(=O)CC(C)C2CCNCC2)sc1C.Cl.Cl.
What is the InChIKey of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is QXOLTPCKLIZJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.2ClH/c1-11(14-4-7-17-8-5-14)10-15(20)18-9-6-16-19-12(2)13(3)21-16;;/h11,14,17H,4-10H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 382.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119891775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).