N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

C16H23N3OS — CID 29046567

IUPACN-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(C(N)=S)cc2)CC1
InChIInChI=1S/C16H23N3OS/c1-12-6-9-19(10-7-12)11-8-15(20)18-14-4-2-13(3-5-14)16(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyKIVRBUYJCCQGNB-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.38
Rot. Bonds5

About N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide

N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 29046567) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID29046567
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(C(N)=S)cc2)CC1
InChIInChI=1S/C16H23N3OS/c1-12-6-9-19(10-7-12)11-8-15(20)18-14-4-2-13(3-5-14)16(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21)(H,18,20)
InChIKeyKIVRBUYJCCQGNB-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
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-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739
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CID 60973340
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 773010
3-(4-methylpiperidin-1-yl)-N-[6-[3-(4-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide
CID 24963056
N-(4-carbamothioylphenyl)-2-(3,4-dimethylpiperazin-1-yl)acetamide
CID 63608633
N-(4-bromo-3-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide;hydrochloride
CID 23724258
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide (CID 29046567) is N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2ccc(C(N)=S)cc2)CC1.
What is the InChIKey of N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is KIVRBUYJCCQGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-12-6-9-19(10-7-12)11-8-15(20)18-14-4-2-13(3-5-14)16(17)21/h2-5,12H,6-11H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide?
N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 305.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 29046567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).