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

C15H21N3O2S — CID 61434163

IUPACN-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
SMILESNC(=S)c1ccccc1NC(=O)CCN1CCCC(O)C1
InChIInChI=1S/C15H21N3O2S/c16-15(21)12-5-1-2-6-13(12)17-14(20)7-9-18-8-3-4-11(19)10-18/h1-2,5-6,11,19H,3-4,7-10H2,(H2,16,21)(H,17,20)
InChIKeyIEZWSSICVYMBHX-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.11
Rot. Bonds5

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

N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide (PubChem CID 61434163) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
PubChem CID61434163
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide
SMILESNC(=S)c1ccccc1NC(=O)CCN1CCCC(O)C1
InChIInChI=1S/C15H21N3O2S/c16-15(21)12-5-1-2-6-13(12)17-14(20)7-9-18-8-3-4-11(19)10-18/h1-2,5-6,11,19H,3-4,7-10H2,(H2,16,21)(H,17,20)
InChIKeyIEZWSSICVYMBHX-UHFFFAOYSA-N
XLogP1.11
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-carbamothioylphenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43106577
1-[3-(2-aminoanilino)-3-oxopropyl]piperidine-3-carboxamide
CID 16788588
N-(2-chlorophenyl)-3-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 78963268
N-(2-carbamothioylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 24698981
N-(2-carbamothioylphenyl)-3-hydroxypropanamide
CID 43165081
N-(2-aminophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43590088
2-[3-(azocan-1-yl)propanoylamino]-N-cyclopropylbenzamide
CID 24588779
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
N-benzyl-2-[[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]amino]benzamide
CID 95175871
N-(2-chlorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145302
ethyl (3S)-1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 771185
ethyl 1-[3-(2-chloroanilino)-3-oxopropyl]piperidine-3-carboxylate
CID 2902079

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide (CID 61434163) is N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide is NC(=S)c1ccccc1NC(=O)CCN1CCCC(O)C1.
What is the InChIKey of N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
The InChIKey is IEZWSSICVYMBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-15(21)12-5-1-2-6-13(12)17-14(20)7-9-18-8-3-4-11(19)10-18/h1-2,5-6,11,19H,3-4,7-10H2,(H2,16,21)(H,17,20).
What are the key properties of N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide?
N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide has a molecular weight of 307.42 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioylphenyl)-3-(3-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 61434163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).