N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

C14H22ClN3O2S — CID 119794468

IUPACN-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)CC(C)C2CCNCC2)s1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-9(11-3-5-15-6-4-11)7-13(19)17-14-16-8-12(20-14)10(2)18;/h8-9,11,15H,3-7H2,1-2H3,(H,16,17,19);1H
InChIKeyWRFOZLWIPDDGSV-UHFFFAOYSA-N
MW331.87 g/mol
LogP2.73
Rot. Bonds5

About N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119794468) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119794468
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)c1cnc(NC(=O)CC(C)C2CCNCC2)s1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-9(11-3-5-15-6-4-11)7-13(19)17-14-16-8-12(20-14)10(2)18;/h8-9,11,15H,3-7H2,1-2H3,(H,16,17,19);1H
InChIKeyWRFOZLWIPDDGSV-UHFFFAOYSA-N
XLogP2.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119677065
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745181
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745133
3-piperidin-4-yl-N-thiophen-3-ylbutanamide;hydrochloride
CID 119788959
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669352
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119728654
N-[4-(carbamoylamino)phenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119701454
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812
N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]-3-piperidin-4-ylbutanamide
CID 119711409

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119794468) is N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(=O)c1cnc(NC(=O)CC(C)C2CCNCC2)s1.Cl.
What is the InChIKey of N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is WRFOZLWIPDDGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.ClH/c1-9(11-3-5-15-6-4-11)7-13(19)17-14-16-8-12(20-14)10(2)18;/h8-9,11,15H,3-7H2,1-2H3,(H,16,17,19);1H.
What are the key properties of N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-1,3-thiazol-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119794468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).