1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide

C15H26N2OS — CID 62205619

IUPAC1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
SMILESCCCC1CCN(C(=O)C2(C(N)=S)CCCC2)CC1
InChIInChI=1S/C15H26N2OS/c1-2-5-12-6-10-17(11-7-12)14(18)15(13(16)19)8-3-4-9-15/h12H,2-11H2,1H3,(H2,16,19)
InChIKeyQAMOBQCAHLTSED-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.87
Rot. Bonds4

About 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide

1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide (PubChem CID 62205619) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
PubChem CID62205619
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
SMILESCCCC1CCN(C(=O)C2(C(N)=S)CCCC2)CC1
InChIInChI=1S/C15H26N2OS/c1-2-5-12-6-10-17(11-7-12)14(18)15(13(16)19)8-3-4-9-15/h12H,2-11H2,1H3,(H2,16,19)
InChIKeyQAMOBQCAHLTSED-UHFFFAOYSA-N
XLogP2.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
1-(4-propylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55050179
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 106835942
1-(azetidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 126980533
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
1-[4-(pyrrolidin-1-ylmethyl)piperidine-1-carbonyl]cyclopropane-1-carbothioamide
CID 80590036
1-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carbothioamide
CID 63514275
2-(1-aminocyclopentyl)-1-(4-propylpiperidin-1-yl)ethanone
CID 64677432
1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]cycloheptane-1-carbothioamide
CID 107227387
1-(4-cyclopropylpiperazine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80589211
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80591206
1-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589779

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide (CID 62205619) is 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide is CCCC1CCN(C(=O)C2(C(N)=S)CCCC2)CC1.
What is the InChIKey of 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
The InChIKey is QAMOBQCAHLTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-2-5-12-6-10-17(11-7-12)14(18)15(13(16)19)8-3-4-9-15/h12H,2-11H2,1H3,(H2,16,19).
What are the key properties of 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide?
1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide has a molecular weight of 282.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 62205619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).