N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide

C14H19N3OS — CID 24691128

IUPACN-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
SMILESNC(=S)c1cccc(NC(=O)CN2CCCCC2)c1
InChIInChI=1S/C14H19N3OS/c15-14(19)11-5-4-6-12(9-11)16-13(18)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2,(H2,15,19)(H,16,18)
InChIKeyXRVBGXRUSDKZHI-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.75
Rot. Bonds4

About N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide

N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide (PubChem CID 24691128) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
PubChem CID24691128
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
SMILESNC(=S)c1cccc(NC(=O)CN2CCCCC2)c1
InChIInChI=1S/C14H19N3OS/c15-14(19)11-5-4-6-12(9-11)16-13(18)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2,(H2,15,19)(H,16,18)
InChIKeyXRVBGXRUSDKZHI-UHFFFAOYSA-N
XLogP1.75
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.75
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

3-[[2-(azepan-1-yl)acetyl]amino]benzamide
CID 54814769
N-(3-carbamothioylphenyl)-2-(1,4-thiazepan-4-yl)acetamide
CID 61419450
N-(3-carbamothioylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 28543386
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
N-(3-carbamothioylphenyl)-2-(5-oxo-1,4-diazepan-1-yl)acetamide
CID 63002679
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(3-carbamothioylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 24709451
N-(3-carbamothioylphenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533707
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide (CID 24691128) is N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide is NC(=S)c1cccc(NC(=O)CN2CCCCC2)c1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide?
The InChIKey is XRVBGXRUSDKZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c15-14(19)11-5-4-6-12(9-11)16-13(18)10-17-7-2-1-3-8-17/h4-6,9H,1-3,7-8,10H2,(H2,15,19)(H,16,18).
What are the key properties of N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide?
N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide has a molecular weight of 277.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide is sourced from PubChem (CID 24691128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).