N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide

C16H21N3O2S — CID 26168019

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O2S/c1-2-14(20)18-16(22)17-13-8-6-12(7-9-13)15(21)19-10-4-3-5-11-19/h6-9H,2-5,10-11H2,1H3,(H2,17,18,20,22)
InChIKeyOKVXOKZODOASTB-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.54
Rot. Bonds3

About N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide

N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide (PubChem CID 26168019) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
PubChem CID26168019
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
SMILESCCC(=O)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C16H21N3O2S/c1-2-14(20)18-16(22)17-13-8-6-12(7-9-13)15(21)19-10-4-3-5-11-19/h6-9H,2-5,10-11H2,1H3,(H2,17,18,20,22)
InChIKeyOKVXOKZODOASTB-UHFFFAOYSA-N
XLogP2.54
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.54
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-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]octanamide
CID 17196671
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]acetamide
CID 54786669
N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-(4-methoxyphenyl)acetamide
CID 17199308
3-cyclohexyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168099
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387
N-[[4-(azepan-1-ylsulfonyl)phenyl]carbamothioyl]propanamide
CID 1014399
1-(3,5-dimethoxyphenyl)-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 17300942
1-[(1S)-1-(2-methylphenyl)propyl]-3-[4-(piperidine-1-carbonyl)phenyl]thiourea
CID 100745393
2-methoxy-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 26168076
2-chloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196594
3,5-dichloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196698

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide (CID 26168019) is N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide is CCC(=O)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
The InChIKey is OKVXOKZODOASTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-2-14(20)18-16(22)17-13-8-6-12(7-9-13)15(21)19-10-4-3-5-11-19/h6-9H,2-5,10-11H2,1H3,(H2,17,18,20,22).
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 26168019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).