N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide

C16H23N3OS — CID 43106577

IUPACN-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C16H23N3OS/c1-12-6-4-5-10-19(12)11-9-15(20)18-14-8-3-2-7-13(14)16(17)21/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyXQQPQABGNMQIJZ-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.52
Rot. Bonds5

About N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide

N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide (PubChem CID 43106577) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
PubChem CID43106577
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1CCC(=O)Nc1ccccc1C(N)=S
InChIInChI=1S/C16H23N3OS/c1-12-6-4-5-10-19(12)11-9-15(20)18-14-8-3-2-7-13(14)16(17)21/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyXQQPQABGNMQIJZ-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide 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-(2-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16779613
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
CID 61434163
N-(3-aminophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 16778633
N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24698981
ethyl 2-[[2-[(2S)-2-methylpiperidin-1-yl]acetyl]amino]benzoate
CID 8583347
N-(2-carbamothioylphenyl)cyclopentanecarboxamide
CID 24703566
3-(2-methylpiperidin-1-yl)propanehydrazide
CID 60676133
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
3-(2-methylpiperidin-1-yl)propanamide
CID 15121454

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide (CID 43106577) is N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1CCC(=O)Nc1ccccc1C(N)=S.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is XQQPQABGNMQIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-6-4-5-10-19(12)11-9-15(20)18-14-8-3-2-7-13(14)16(17)21/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide?
N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 305.45 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43106577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).