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

C16H29Cl2N3OS — CID 119886487

IUPACN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)CC(C)C2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-4-16-19-14(10-21-16)12(3)18-15(20)9-11(2)13-5-7-17-8-6-13;;/h10-13,17H,4-9H2,1-3H3,(H,18,20);2*1H
InChIKeyUVAKQFZYMIBZTQ-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.75
Rot. Bonds6

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

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119886487) has the molecular formula C16H29Cl2N3OS and a molecular weight of 382.40 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119886487
Molecular FormulaC16H29Cl2N3OS
Molecular Weight382.40 g/mol
Exact Mass381.14
IUPAC NameN-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCc1nc(C(C)NC(=O)CC(C)C2CCNCC2)cs1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-4-16-19-14(10-21-16)12(3)18-15(20)9-11(2)13-5-7-17-8-6-13;;/h10-13,17H,4-9H2,1-3H3,(H,18,20);2*1H
InChIKeyUVAKQFZYMIBZTQ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 119886508
3-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]butanamide;dihydrochloride
CID 119886493
2-cyclopentyl-N-[(1R)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 95620387
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119875889
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119886495
4-amino-N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-methoxybutanamide;dihydrochloride
CID 120596918
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942195
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119896018
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119886487) is N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CCc1nc(C(C)NC(=O)CC(C)C2CCNCC2)cs1.Cl.Cl.
What is the InChIKey of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is UVAKQFZYMIBZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.2ClH/c1-4-16-19-14(10-21-16)12(3)18-15(20)9-11(2)13-5-7-17-8-6-13;;/h10-13,17H,4-9H2,1-3H3,(H,18,20);2*1H.
What are the key properties of N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 382.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119886487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).