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

C16H23N3OS — CID 43103510

IUPACN-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2cccc(C(N)=S)c2)C1
InChIInChI=1S/C16H23N3OS/c1-11-5-4-8-19(10-11)12(2)16(20)18-14-7-3-6-13(9-14)15(17)21/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyGVDTZMKLXJEFKU-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds4

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

N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 43103510) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID43103510
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2cccc(C(N)=S)c2)C1
InChIInChI=1S/C16H23N3OS/c1-11-5-4-8-19(10-11)12(2)16(20)18-14-7-3-6-13(9-14)15(17)21/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyGVDTZMKLXJEFKU-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

(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223800
(2S)-N-(3,4-dimethoxyphenyl)-2-[(3R)-3-methylpiperidin-1-yl]propanamide
CID 9275552
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4825469
N-(4-chlorophenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 4824476
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9275584
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
(2S)-2-[(3R)-3-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide
CID 41157173
(2S)-N-(3-bromophenyl)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430772
(2S)-N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 9430774

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide (CID 43103510) is N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2cccc(C(N)=S)c2)C1.
What is the InChIKey of N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is GVDTZMKLXJEFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-11-5-4-8-19(10-11)12(2)16(20)18-14-7-3-6-13(9-14)15(17)21/h3,6-7,9,11-12H,4-5,8,10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide 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-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 43103510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).