3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide

C23H33N3O2S — CID 4934492

IUPAC3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C23H33N3O2S/c1-17-13-15-26(16-14-17)22(28)19-9-5-6-10-20(19)24-23(29)25-21(27)12-11-18-7-3-2-4-8-18/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H2,24,25,27,29)
InChIKeyKAKXMJXXPVTXGE-UHFFFAOYSA-N
MW415.60 g/mol
LogP4.73
Rot. Bonds5

About 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide

3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide (PubChem CID 4934492) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
PubChem CID4934492
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Name3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C23H33N3O2S/c1-17-13-15-26(16-14-17)22(28)19-9-5-6-10-20(19)24-23(29)25-21(27)12-11-18-7-3-2-4-8-18/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H2,24,25,27,29)
InChIKeyKAKXMJXXPVTXGE-UHFFFAOYSA-N
XLogP4.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 54.73
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

3-cyclohexyl-N-[[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 4934499
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-cyclopentylacetamide
CID 54786796
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789040
ethyl 4-[[2-(azepane-1-carbonyl)phenyl]carbamothioylamino]-4-oxobutanoate
CID 4938077
N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789366
N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]furan-2-carboxamide
CID 4939517
(E)-3-(4-chlorophenyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 17195744
3-cyclohexyl-N-[[4-(piperidine-1-carbonyl)phenyl]carbamothioyl]propanamide
CID 26168099
3-cyclohexyl-N-[(2-phenylmethoxyphenyl)carbamothioyl]propanamide
CID 17093667
(E)-3-(4-methoxyphenyl)-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]prop-2-enamide
CID 6234600

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide (CID 4934492) is 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide is CC1CCN(C(=O)c2ccccc2NC(=S)NC(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
The InChIKey is KAKXMJXXPVTXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-17-13-15-26(16-14-17)22(28)19-9-5-6-10-20(19)24-23(29)25-21(27)12-11-18-7-3-2-4-8-18/h5-6,9-10,17-18H,2-4,7-8,11-16H2,1H3,(H2,24,25,27,29).
What are the key properties of 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide?
3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide has a molecular weight of 415.60 g/mol, XLogP of 4.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[[2-(4-methylpiperidine-1-carbonyl)phenyl]carbamothioyl]propanamide is sourced from PubChem (CID 4934492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).