N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide

C18H26N2O2S — CID 97096418

IUPACN-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide
SMILESCC[C@@H](SCC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1
InChIInChI=1S/C18H26N2O2S/c1-3-17(15-8-5-4-6-9-15)23-13-18(22)20-11-7-10-16(12-20)19-14(2)21/h4-6,8-9,16-17H,3,7,10-13H2,1-2H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyMPKXPRIPOUAXBD-DLBZAZTESA-N
MW334.48 g/mol
LogP3.00
Rot. Bonds6

About N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide

N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide (PubChem CID 97096418) has the molecular formula C18H26N2O2S and a molecular weight of 334.48 g/mol. Its IUPAC name is N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide
PubChem CID97096418
Molecular FormulaC18H26N2O2S
Molecular Weight334.48 g/mol
Exact Mass334.17
IUPAC NameN-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide
SMILESCC[C@@H](SCC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1
InChIInChI=1S/C18H26N2O2S/c1-3-17(15-8-5-4-6-9-15)23-13-18(22)20-11-7-10-16(12-20)19-14(2)21/h4-6,8-9,16-17H,3,7,10-13H2,1-2H3,(H,19,21)/t16-,17+/m0/s1
InChIKeyMPKXPRIPOUAXBD-DLBZAZTESA-N
XLogP3.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]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-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
CID 71926391
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
2-(3-acetamidopiperidin-1-yl)-2-phenylacetic acid
CID 136550153
N-[(3S)-1-[(2R)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027820
N-[(3S)-1-[(2S)-1-benzylpyrrolidine-2-carbonyl]piperidin-3-yl]acetamide
CID 97027818
2-methyl-N-[1-(2-phenylacetyl)piperidin-3-yl]propanamide
CID 127187955
N-[1-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 120761183
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
4-(3-acetamidopiperidine-1-carbonyl)benzoic acid
CID 126774407
N-[1-[2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidin-3-yl]acetamide
CID 60514802
(3R)-3-acetamido-N-[(1R)-1-pyridin-2-ylethyl]piperidine-1-carboxamide
CID 95152686

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide (CID 97096418) is N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide is CC[C@@H](SCC(=O)N1CCC[C@H](NC(C)=O)C1)c1ccccc1.
What is the InChIKey of N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide?
The InChIKey is MPKXPRIPOUAXBD-DLBZAZTESA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-3-17(15-8-5-4-6-9-15)23-13-18(22)20-11-7-10-16(12-20)19-14(2)21/h4-6,8-9,16-17H,3,7,10-13H2,1-2H3,(H,19,21)/t16-,17+/m0/s1.
What are the key properties of N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide?
N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide has a molecular weight of 334.48 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 97096418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).