3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride

C16H29Cl2N3OS — CID 119892416

IUPAC3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
SMILESCCC(C)(NC(=O)CC(C)C1CCCNC1)c1nccs1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-4-16(3,15-18-8-9-21-15)19-14(20)10-12(2)13-6-5-7-17-11-13;;/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,19,20);2*1H
InChIKeyWKBLDIKLIJWIKH-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.75
Rot. Bonds6

About 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride

3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride (PubChem CID 119892416) has the molecular formula C16H29Cl2N3OS and a molecular weight of 382.40 g/mol. Its IUPAC name is 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
PubChem CID119892416
Molecular FormulaC16H29Cl2N3OS
Molecular Weight382.40 g/mol
Exact Mass381.14
IUPAC Name3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
SMILESCCC(C)(NC(=O)CC(C)C1CCCNC1)c1nccs1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-4-16(3,15-18-8-9-21-15)19-14(20)10-12(2)13-6-5-7-17-11-13;;/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,19,20);2*1H
InChIKeyWKBLDIKLIJWIKH-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

3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119890773
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892436
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
3-piperidin-3-yl-N-[1-(1,3-thiazol-2-yl)propyl]butanamide
CID 81044210
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(2-methyl-2-thiophen-2-ylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119787657
N-(2-amino-2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 122080829
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
methyl 2-methyl-2-(3-piperidin-3-ylbutanoylamino)pentanoate
CID 119729113
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
The IUPAC name of 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride (CID 119892416) is 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride.
What is the SMILES notation for 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
The canonical SMILES for 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride is CCC(C)(NC(=O)CC(C)C1CCCNC1)c1nccs1.Cl.Cl.
What is the InChIKey of 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
The InChIKey is WKBLDIKLIJWIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.2ClH/c1-4-16(3,15-18-8-9-21-15)19-14(20)10-12(2)13-6-5-7-17-11-13;;/h8-9,12-13,17H,4-7,10-11H2,1-3H3,(H,19,20);2*1H.
What are the key properties of 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride?
3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;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 3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride is sourced from PubChem (CID 119892416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).