(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide

C18H27N3O2S — CID 97145050

IUPAC(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(CSCCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1
InChIInChI=1S/C18H27N3O2S/c1-14-5-2-6-15(11-14)13-24-10-4-8-20-17(22)16-7-3-9-21(12-16)18(19)23/h2,5-6,11,16H,3-4,7-10,12-13H2,1H3,(H2,19,23)(H,20,22)/t16-/m1/s1
InChIKeyJDDITDZKASWENP-MRXNPFEDSA-N
MW349.50 g/mol
LogP2.53
Rot. Bonds7

About (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide (PubChem CID 97145050) has the molecular formula C18H27N3O2S and a molecular weight of 349.50 g/mol. Its IUPAC name is (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
PubChem CID97145050
Molecular FormulaC18H27N3O2S
Molecular Weight349.50 g/mol
Exact Mass349.18
IUPAC Name(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
SMILESCc1cccc(CSCCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1
InChIInChI=1S/C18H27N3O2S/c1-14-5-2-6-15(11-14)13-24-10-4-8-20-17(22)16-7-3-9-21(12-16)18(19)23/h2,5-6,11,16H,3-4,7-10,12-13H2,1H3,(H2,19,23)(H,20,22)/t16-/m1/s1
InChIKeyJDDITDZKASWENP-MRXNPFEDSA-N
XLogP2.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide 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

3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
(3R)-1-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 99970102
N-(2-aminoethyl)-1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119480953
3-N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide
CID 70769016
(3R)-3-N-[3-(furan-2-ylmethylsulfanyl)propyl]piperidine-1,3-dicarboxamide
CID 97454873
(3R)-1-(dimethylsulfamoyl)-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]piperidine-3-carboxamide
CID 28569761
1-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide
CID 43934393
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-3-carboxamide
CID 43932698
(3R)-3-N-[[1-(3-methylphenyl)cyclopentyl]methyl]piperidine-1,3-dicarboxamide
CID 95284457
(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
N-(2-aminoethyl)-1-[2-[(3-chlorophenyl)methylsulfanyl]acetyl]piperidine-3-carboxamide
CID 119479747
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide (CID 97145050) is (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide is Cc1cccc(CSCCCNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1.
What is the InChIKey of (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
The InChIKey is JDDITDZKASWENP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H27N3O2S/c1-14-5-2-6-15(11-14)13-24-10-4-8-20-17(22)16-7-3-9-21(12-16)18(19)23/h2,5-6,11,16H,3-4,7-10,12-13H2,1H3,(H2,19,23)(H,20,22)/t16-/m1/s1.
What are the key properties of (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide has a molecular weight of 349.50 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97145050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).