methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate

C19H28N2O3 — CID 86866312

IUPACmethyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CCCCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15-7-9-16(10-8-15)5-3-4-6-18(22)20-17-11-13-21(14-12-17)19(23)24-2/h7-10,17H,3-6,11-14H2,1-2H3,(H,20,22)
InChIKeyRWMNZKOMBWJVGB-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.05
Rot. Bonds6

About methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate

methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate (PubChem CID 86866312) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
PubChem CID86866312
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namemethyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(NC(=O)CCCCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H28N2O3/c1-15-7-9-16(10-8-15)5-3-4-6-18(22)20-17-11-13-21(14-12-17)19(23)24-2/h7-10,17H,3-6,11-14H2,1-2H3,(H,20,22)
InChIKeyRWMNZKOMBWJVGB-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[4-(4-methylphenoxy)butanoylamino]piperidine-1-carboxylate
CID 108561101
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
4-(4-methylphenyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 47047200
methyl 4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 110822777
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 110819831
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556342
methyl 4-[[2-(3-methylphenyl)acetyl]amino]piperidine-1-carboxylate
CID 110821768
4-(4-methylphenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119453431
N-[1-(4-bromobenzoyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556360
ethyl 4-[2-(4-methylphenyl)ethylcarbamoylamino]piperidine-1-carboxylate
CID 108891194

Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate (CID 86866312) is methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate is COC(=O)N1CCC(NC(=O)CCCCc2ccc(C)cc2)CC1.
What is the InChIKey of methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate?
The InChIKey is RWMNZKOMBWJVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-15-7-9-16(10-8-15)5-3-4-6-18(22)20-17-11-13-21(14-12-17)19(23)24-2/h7-10,17H,3-6,11-14H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate?
methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate has a molecular weight of 332.44 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 86866312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).