prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate

C28H32N2O5 — CID 89275045

IUPACprop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESC=CCOC(=O)C1CC[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C28H32N2O5/c1-3-18-35-28(33)23-13-12-22(20-8-4-5-9-21(20)23)27(32)30-16-14-19(15-17-30)29-26(31)24-10-6-7-11-25(24)34-2/h3-11,19,22-23H,1,12-18H2,2H3,(H,29,31)/t22-,23?/m1/s1
InChIKeyAAEXDGZZZYGJNZ-WTQRLHSKSA-N
MW476.57 g/mol
LogP3.81
Rot. Bonds7

About prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate

prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate (PubChem CID 89275045) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate
PubChem CID89275045
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC Nameprop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate
SMILESC=CCOC(=O)C1CC[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)c2ccccc21
InChIInChI=1S/C28H32N2O5/c1-3-18-35-28(33)23-13-12-22(20-8-4-5-9-21(20)23)27(32)30-16-14-19(15-17-30)29-26(31)24-10-6-7-11-25(24)34-2/h3-11,19,22-23H,1,12-18H2,2H3,(H,29,31)/t22-,23?/m1/s1
InChIKeyAAEXDGZZZYGJNZ-WTQRLHSKSA-N
XLogP3.81
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 58025413
formaldehyde;2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalen-1-yl]methylamino]acetic acid
CID 143659979
prop-2-enyl (1R,4S)-4-[4-[(2-methoxypyridine-3-carbonyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 58025581
3-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]propanoic acid
CID 58025467
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 110820045
ethyl (2S)-1-[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]pyrrolidine-2-carboxylate;sulfane
CID 158788979
prop-2-enyl (4R)-4-[4-[(2-methoxypyridine-3-carbonyl)amino]azepane-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 67149540
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxybenzamide
CID 110871467
ethyl 1-[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]piperidine-2-carboxylate;sulfane
CID 159440459
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
2-prop-2-enoxy-N-(1-sulfamoylpiperidin-4-yl)benzamide
CID 126831789

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate (CID 89275045) is prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate is C=CCOC(=O)C1CC[C@@H](C(=O)N2CCC(NC(=O)c3ccccc3OC)CC2)c2ccccc21.
What is the InChIKey of prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
The InChIKey is AAEXDGZZZYGJNZ-WTQRLHSKSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-3-18-35-28(33)23-13-12-22(20-8-4-5-9-21(20)23)27(32)30-16-14-19(15-17-30)29-26(31)24-10-6-7-11-25(24)34-2/h3-11,19,22-23H,1,12-18H2,2H3,(H,29,31)/t22-,23?/m1/s1.
What are the key properties of prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate?
prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate has a molecular weight of 476.57 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (4R)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1,2,3,4-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 89275045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).