N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide

C15H20ClN3OS — CID 2219038

IUPACN-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C15H20ClN3OS/c1-2-13(20)18-15(21)17-12-8-6-7-11(16)14(12)19-9-4-3-5-10-19/h6-8H,2-5,9-10H2,1H3,(H2,17,18,20,21)
InChIKeyUUVNYPCBBXOXBP-UHFFFAOYSA-N
MW325.87 g/mol
LogP3.55
Rot. Bonds3

About N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide

N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide (PubChem CID 2219038) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide
PubChem CID2219038
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1
InChIInChI=1S/C15H20ClN3OS/c1-2-13(20)18-15(21)17-12-8-6-7-11(16)14(12)19-9-4-3-5-10-19/h6-8H,2-5,9-10H2,1H3,(H2,17,18,20,21)
InChIKeyUUVNYPCBBXOXBP-UHFFFAOYSA-N
XLogP3.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 53.55
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-(3-chlorophenyl)-4-methyl-1-piperazinecarbothioamide
CID 881841
N-[(3-chloro-2-pyrrolidin-1-ylphenyl)carbamothioyl]propanamide
CID 935215
N-[(3-chloro-4-pyrrolidin-1-ylphenyl)carbamothioyl]-3-methylbutanamide
CID 951014
N-[[3-chloro-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]butanamide
CID 2227708
N-(2-chlorophenyl)-3-oxopiperazine-1-carbothioamide
CID 4967371
N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbutanamide
CID 3463345
N-(3-chlorophenyl)-4-ethylpiperazine-1-carbothioamide
CID 895682
N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 935027
N-[3-Chloro-4-(4-ethyl-piperazin-1-yl)-phenyl]-propionamide
CID 952830
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]acetamide
CID 1092653
N-(2-chlorophenyl)-4-ethylpiperazine-1-carbothioamide
CID 1311229
N-{[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]carbonothioyl}propanamide
CID 2969067

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide?
The IUPAC name of N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide (CID 2219038) is N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide.
What is the SMILES notation for N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide?
The canonical SMILES for N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1.
What is the InChIKey of N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide?
The InChIKey is UUVNYPCBBXOXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-2-13(20)18-15(21)17-12-8-6-7-11(16)14(12)19-9-4-3-5-10-19/h6-8H,2-5,9-10H2,1H3,(H2,17,18,20,21).
What are the key properties of N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide?
N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide has a molecular weight of 325.87 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-piperidin-1-ylphenyl)carbamothioyl]propanamide is sourced from PubChem (CID 2219038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).