N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

C24H32N4O2S — CID 145040386

IUPACN-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(SC2CCCNC2)C(Cc2ccccc2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C24H32N4O2S/c29-24(22-15-23(30-27-22)18-8-9-18)26-19-10-12-28(31-21-7-4-11-25-16-21)20(14-19)13-17-5-2-1-3-6-17/h1-3,5-6,15,18-21,25H,4,7-14,16H2,(H,26,29)
InChIKeyLNVQRFSQUGXXSL-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.76
Rot. Bonds7

About N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 145040386) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID145040386
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESO=C(NC1CCN(SC2CCCNC2)C(Cc2ccccc2)C1)c1cc(C2CC2)on1
InChIInChI=1S/C24H32N4O2S/c29-24(22-15-23(30-27-22)18-8-9-18)26-19-10-12-28(31-21-7-4-11-25-16-21)20(14-19)13-17-5-2-1-3-6-17/h1-3,5-6,15,18-21,25H,4,7-14,16H2,(H,26,29)
InChIKeyLNVQRFSQUGXXSL-UHFFFAOYSA-N
XLogP3.76
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(3-aminopropylsulfanyl)-2-benzylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040339
tert-butyl (2S,4S)-2-benzyl-4-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 118947483
5-cyclopropyl-N-[2-methyl-1-(2-phenylpiperazin-1-yl)sulfanylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040199
N-(1-benzylsulfonylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 122140778
5-cyclopropyl-N-[1-(piperidine-3-carbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040372
N-[(2R,10bS)-6-oxo-9-piperidin-3-yl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide;molecular hydrogen
CID 145040480
5-cyclopropyl-N-[1-(1-phenylethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 119041845
N-[1-(cyclohexylmethylsulfanyl)-2-methylpiperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 145040500
5-cyclopropyl-N-[(2R)-2-methyl-1-(1-methylcyclohexanecarbonyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 158888627
5-cyclopropyl-N-[1-(5-hydroxypiperidine-3-carbonyl)-2-methylpiperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 145040433
5-cyclopropyl-N-[1-[(1S,2S)-2-hydroxycyclohexyl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 124612300
N-[1-(2-aminoacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
CID 168509992

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 145040386) is N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is O=C(NC1CCN(SC2CCCNC2)C(Cc2ccccc2)C1)c1cc(C2CC2)on1.
What is the InChIKey of N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is LNVQRFSQUGXXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c29-24(22-15-23(30-27-22)18-8-9-18)26-19-10-12-28(31-21-7-4-11-25-16-21)20(14-19)13-17-5-2-1-3-6-17/h1-3,5-6,15,18-21,25H,4,7-14,16H2,(H,26,29).
What are the key properties of N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-1-piperidin-3-ylsulfanylpiperidin-4-yl)-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 145040386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).