N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide

C18H27N3O2S — CID 119595041

IUPACN-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N2CCCC(C(C)N)C2)cc1
InChIInChI=1S/C18H27N3O2S/c1-12(19)15-5-4-10-21(11-15)18(23)13(2)24-17-8-6-16(7-9-17)20-14(3)22/h6-9,12-13,15H,4-5,10-11,19H2,1-3H3,(H,20,22)
InChIKeyKSZKAYWNOWEDOV-UHFFFAOYSA-N
MW349.50 g/mol
LogP2.71
Rot. Bonds5

About N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide

N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide (PubChem CID 119595041) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
PubChem CID119595041
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC NameN-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(C)C(=O)N2CCCC(C(C)N)C2)cc1
InChIInChI=1S/C18H27N3O2S/c1-12(19)15-5-4-10-21(11-15)18(23)13(2)24-17-8-6-16(7-9-17)20-14(3)22/h6-9,12-13,15H,4-5,10-11,19H2,1-3H3,(H,20,22)
InChIKeyKSZKAYWNOWEDOV-UHFFFAOYSA-N
XLogP2.71
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(3-aminopiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119379764
N-[4-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 27387195
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one;hydrochloride
CID 119593855
N-[4-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119562177
N-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 42974876
N-[4-[1-[2-(aminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 119468177
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251467
(2S)-2-(4-acetamidophenyl)sulfanyl-N-cyclopentylpropanamide
CID 2423355
N-[4-[1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide;hydrochloride
CID 120749079
N-[4-[1-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 87030237
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-fluorophenyl)sulfanyl-2-methylpropan-1-one
CID 119593716
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 124726818

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide (CID 119595041) is N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC(C)C(=O)N2CCCC(C(C)N)C2)cc1.
What is the InChIKey of N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
The InChIKey is KSZKAYWNOWEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-12(19)15-5-4-10-21(11-15)18(23)13(2)24-17-8-6-16(7-9-17)20-14(3)22/h6-9,12-13,15H,4-5,10-11,19H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide?
N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide has a molecular weight of 349.50 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 119595041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).