N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C17H27ClN2OS — CID 119769541

IUPACN-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCSCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-13(15-4-3-9-18-11-15)10-17(20)19-16-7-5-14(6-8-16)12-21-2;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyBVKFFSQZQIIEHQ-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.94
Rot. Bonds6

About N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119769541) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119769541
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC NameN-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCSCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-13(15-4-3-9-18-11-15)10-17(20)19-16-7-5-14(6-8-16)12-21-2;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H
InChIKeyBVKFFSQZQIIEHQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
3-piperidin-3-yl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]butanamide;dihydrochloride
CID 119838685
3-piperidin-3-yl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119730353
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119769541) is N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is CSCc1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is BVKFFSQZQIIEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-13(15-4-3-9-18-11-15)10-17(20)19-16-7-5-14(6-8-16)12-21-2;/h5-8,13,15,18H,3-4,9-12H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119769541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).