N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide

C16H23N3OS — CID 62125001

IUPACN-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(C(N)=S)cc2)C1C
InChIInChI=1S/C16H23N3OS/c1-11-4-3-9-19(12(11)2)10-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyHKLVSUYLXFFTNR-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds4

About N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide

N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide (PubChem CID 62125001) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
PubChem CID62125001
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(C(N)=S)cc2)C1C
InChIInChI=1S/C16H23N3OS/c1-11-4-3-9-19(12(11)2)10-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyHKLVSUYLXFFTNR-UHFFFAOYSA-N
XLogP2.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584521
N-(4-carbamothioylphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetamide
CID 63608633
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 29046567
N-(3-amino-2-methylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide
CID 62125474
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
4-[[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]amino]-N,N-dimethylbenzamide
CID 11931448
N-(4-ethylphenyl)-2-[(2S)-2-methylpyrrolidin-1-yl]acetamide
CID 95774756
2-[(4aR,8R,8aS)-8-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-phenylacetamide
CID 100848339
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide (CID 62125001) is N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide is CC1CCCN(CC(=O)Nc2ccc(C(N)=S)cc2)C1C.
What is the InChIKey of N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
The InChIKey is HKLVSUYLXFFTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-4-3-9-19(12(11)2)10-15(20)18-14-7-5-13(6-8-14)16(17)21/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide?
N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide has a molecular weight of 305.45 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-2-(2,3-dimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 62125001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).