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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Related Compounds

(3R)-N-cyclopropyl-N-[[3-(2-methoxyethyl)naphthalen-1-yl]methyl]piperidine-3-carboxamide
CID 70952975
N-cyclopropyl-N-[[2,3-difluoro-5-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide;1-methylpyridin-2-one
CID 143888521
N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 60937275
N-[[3-bromo-5-(3-methoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide;1,4-dimethylpyridin-2-one
CID 143888508
N-[[3-bromo-5-(3-ethoxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 143888439
N-[[3-(3-methoxypropyl)phenyl]methyl]piperidine-3-carboxamide
CID 91518240
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
N-(2-methoxyethyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 119307596
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
(3R)-N-[[3-bromo-5-(3-hydroxypropyl)-4-methylphenyl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 70952997
N-cyclopropyl-N-[(4-methylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55149693
N-[(3-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide;hydrochloride
CID 119284886

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).