N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

C14H22Cl2N2OS — CID 119730060

IUPACN-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(Cl)s1)C1CCCNC1.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-10(11-3-2-6-16-8-11)7-14(18)17-9-12-4-5-13(15)19-12;/h4-5,10-11,16H,2-3,6-9H2,1H3,(H,17,18);1H
InChIKeyXZTRZWMMKLSVLI-UHFFFAOYSA-N
MW337.32 g/mol
LogP3.47
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119730060) has the molecular formula C14H22Cl2N2OS and a molecular weight of 337.32 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119730060
Molecular FormulaC14H22Cl2N2OS
Molecular Weight337.32 g/mol
Exact Mass336.08
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCc1ccc(Cl)s1)C1CCCNC1.Cl
InChIInChI=1S/C14H21ClN2OS.ClH/c1-10(11-3-2-6-16-8-11)7-14(18)17-9-12-4-5-13(15)19-12;/h4-5,10-11,16H,2-3,6-9H2,1H3,(H,17,18);1H
InChIKeyXZTRZWMMKLSVLI-UHFFFAOYSA-N
XLogP3.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996
N-[(3,4-difluorophenyl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705537
N-[2-(2-methylpropanoylamino)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119687970
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
CID 116678035
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727881
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119816636
N-(2-ethylsulfonylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119773434
N-[2-(4-chlorophenoxy)ethyl]-3-piperidin-3-ylbutanamide
CID 119690043
N-butyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671850
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119891870
N-[(3-methyl-2-pyridinyl)methyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119869388
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119730060) is N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NCc1ccc(Cl)s1)C1CCCNC1.Cl.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XZTRZWMMKLSVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS.ClH/c1-10(11-3-2-6-16-8-11)7-14(18)17-9-12-4-5-13(15)19-12;/h4-5,10-11,16H,2-3,6-9H2,1H3,(H,17,18);1H.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 337.32 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119730060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).