N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide

C16H24N2OS — CID 25134249

IUPACN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
SMILESO=C(CCCS)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)
InChIKeyXNIXPLIQGKQSIE-UHFFFAOYSA-N
MW292.45 g/mol
LogP2.48
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide

N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide (PubChem CID 25134249) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
PubChem CID25134249
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide
SMILESO=C(CCCS)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19)
InChIKeyXNIXPLIQGKQSIE-UHFFFAOYSA-N
XLogP2.48
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide
CID 70573
1-Benzyl-4-(propylamino)piperidine-4-carboxamide
CID 70574
Propanamide, 3,3'-thiobis[N-(phenylmethyl)-
CID 562133
1-Benzyl-4-(cyclohexylamino)piperidine-4-carboxamide
CID 70584
(2R)-2-methyl-N-(phenylmethyl)-3-sulfanyl-propanamide
CID 72947099
2-(S)-Amino-4-phenethylamino-1-piperidin-1-yl-butan-1-one
CID 11437726
(S)-2-Amino-4-dibenzylamino-1-piperidin-1-yl-butan-1-one
CID 11474019
N-benzyl-3-(4-benzylpiperazin-1-yl)propanamide
CID 109018769
2-(4-methyl-1-piperazinyl)-N-(1-phenylethyl)-2-thioxoacetamide
CID 2974324
1-N-benzyl-4-N-cyclopentylpiperidine-1,4-dicarboxamide
CID 3222727
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide (CID 25134249) is N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide is O=C(CCCS)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide?
The InChIKey is XNIXPLIQGKQSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c19-16(7-4-12-20)17-15-8-10-18(11-9-15)13-14-5-2-1-3-6-14/h1-3,5-6,15,20H,4,7-13H2,(H,17,19).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide?
N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide has a molecular weight of 292.45 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide is sourced from PubChem (CID 25134249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).