N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

C19H22N4O2S — CID 25346048

IUPACN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C19H22N4O2S/c24-17(16-12-20-19(26)23(16)15-4-2-1-3-5-15)21-14-8-10-22(11-9-14)18(25)13-6-7-13/h1-5,12-14H,6-11H2,(H,20,26)(H,21,24)
InChIKeyZAQXBVPDSMUOLF-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.67
Rot. Bonds4

About N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (PubChem CID 25346048) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
PubChem CID25346048
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC NameN-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
SMILESO=C(NC1CCN(C(=O)C2CC2)CC1)c1c[nH]c(=S)n1-c1ccccc1
InChIInChI=1S/C19H22N4O2S/c24-17(16-12-20-19(26)23(16)15-4-2-1-3-5-15)21-14-8-10-22(11-9-14)18(25)13-6-7-13/h1-5,12-14H,6-11H2,(H,20,26)(H,21,24)
InChIKeyZAQXBVPDSMUOLF-UHFFFAOYSA-N
XLogP2.67
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-N-[(3R)-1-(phenylcarbamoyl)pyrrolidin-3-yl]-2-sulfanylidene-1H-imidazole-4-carboxamide
CID 100748973
azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 18108153
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
4-bromo-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 47150973
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]-4-phenylbenzamide
CID 52898200
(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 46652337
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-hydroxynaphthalene-2-carboxamide
CID 55690810
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2,3-diphenyl-3,4-dihydropyrazole-5-carboxamide
CID 46671615
2-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide;hydrochloride
CID 119944177
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide (CID 25346048) is N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is O=C(NC1CCN(C(=O)C2CC2)CC1)c1c[nH]c(=S)n1-c1ccccc1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
The InChIKey is ZAQXBVPDSMUOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c24-17(16-12-20-19(26)23(16)15-4-2-1-3-5-15)21-14-8-10-22(11-9-14)18(25)13-6-7-13/h1-5,12-14H,6-11H2,(H,20,26)(H,21,24).
What are the key properties of N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide?
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide is sourced from PubChem (CID 25346048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).