prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate

C19H26N2O3 — CID 108566504

IUPACprop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-3-14-24-19(23)20-17-10-12-21(13-11-17)18(22)9-8-16-6-4-15(2)5-7-16/h3-7,17H,1,8-14H2,2H3,(H,20,23)
InChIKeySNSICUJKSOXMQS-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.83
Rot. Bonds6

About prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate

prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 108566504) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
PubChem CID108566504
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameprop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESC=CCOC(=O)NC1CCN(C(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O3/c1-3-14-24-19(23)20-17-10-12-21(13-11-17)18(22)9-8-16-6-4-15(2)5-7-16/h3-7,17H,1,8-14H2,2H3,(H,20,23)
InChIKeySNSICUJKSOXMQS-UHFFFAOYSA-N
XLogP2.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloroethyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566503
prop-2-enyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567125
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
4-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 108549141
1-[4-(methylamino)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119559786
prop-2-enyl N-[1-[4-(2,6-dimethylphenoxy)butanoyl]piperidin-4-yl]carbamate
CID 108565374
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
prop-2-enyl N-[1-[2-(2-tert-butyl-4-methylphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564991
3-cyclohexyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108555735
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 55220018

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate (CID 108566504) is prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate is C=CCOC(=O)NC1CCN(C(=O)CCc2ccc(C)cc2)CC1.
What is the InChIKey of prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is SNSICUJKSOXMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-14-24-19(23)20-17-10-12-21(13-11-17)18(22)9-8-16-6-4-15(2)5-7-16/h3-7,17H,1,8-14H2,2H3,(H,20,23).
What are the key properties of prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate?
prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 330.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108566504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).