N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide

C21H32N2O2S — CID 143888515

IUPACN-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide
SMILESCOCCCc1ccc(SC)c(CN(C(=O)C2CCCNC2)C2CC2)c1
InChIInChI=1S/C21H32N2O2S/c1-25-12-4-5-16-7-10-20(26-2)18(13-16)15-23(19-8-9-19)21(24)17-6-3-11-22-14-17/h7,10,13,17,19,22H,3-6,8-9,11-12,14-15H2,1-2H3
InChIKeyOXQLEVZEVUWHHC-UHFFFAOYSA-N
MW376.57 g/mol
LogP3.48
Rot. Bonds9

About N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide

N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide (PubChem CID 143888515) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide
PubChem CID143888515
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide
SMILESCOCCCc1ccc(SC)c(CN(C(=O)C2CCCNC2)C2CC2)c1
InChIInChI=1S/C21H32N2O2S/c1-25-12-4-5-16-7-10-20(26-2)18(13-16)15-23(19-8-9-19)21(24)17-6-3-11-22-14-17/h7,10,13,17,19,22H,3-6,8-9,11-12,14-15H2,1-2H3
InChIKeyOXQLEVZEVUWHHC-UHFFFAOYSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide (CID 143888515) is N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide is COCCCc1ccc(SC)c(CN(C(=O)C2CCCNC2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide?
The InChIKey is OXQLEVZEVUWHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-25-12-4-5-16-7-10-20(26-2)18(13-16)15-23(19-8-9-19)21(24)17-6-3-11-22-14-17/h7,10,13,17,19,22H,3-6,8-9,11-12,14-15H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide?
N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide has a molecular weight of 376.57 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylsulfanylphenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 143888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).