methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate

C29H36N2O5 — CID 58025523

IUPACmethyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC[C@@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C29H36N2O5/c1-28(2,3)36-27(34)30-21-15-18-31(19-16-21)25(32)23-14-17-29(26(33)35-4,20-10-6-5-7-11-20)24-13-9-8-12-22(23)24/h5-13,21,23H,14-19H2,1-4H3,(H,30,34)/t23-,29?/m1/s1
InChIKeyCSWWTQBSTYDAES-WIZGVZBGSA-N
MW492.62 g/mol
LogP4.54
Rot. Bonds4

About methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate

methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate (PubChem CID 58025523) has the molecular formula C29H36N2O5 and a molecular weight of 492.62 g/mol. Its IUPAC name is methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
PubChem CID58025523
Molecular FormulaC29H36N2O5
Molecular Weight492.62 g/mol
Exact Mass492.26
IUPAC Namemethyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CC[C@@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc21
InChIInChI=1S/C29H36N2O5/c1-28(2,3)36-27(34)30-21-15-18-31(19-16-21)25(32)23-14-17-29(26(33)35-4,20-10-6-5-7-11-20)24-13-9-8-12-22(23)24/h5-13,21,23H,14-19H2,1-4H3,(H,30,34)/t23-,29?/m1/s1
InChIKeyCSWWTQBSTYDAES-WIZGVZBGSA-N
XLogP4.54
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (1S,4R)-4-[4-[(2,3-dimethoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 58025260
ethyl (1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 58025413
tert-butyl (2S)-1-[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]pyrrolidine-2-carboxylate
CID 58025407
tert-butyl (2R)-2-[[(1R,4S)-4-[4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]-2-phenylacetate;sulfane
CID 157447302
(2S)-2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoic acid
CID 58025569
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
tert-butyl (2S,4R)-1-[(1R,4S)-4-[4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate;sulfane
CID 159779194
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256
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
4-ethoxycarbonyl-4-phenyl-2,3-dihydro-1H-naphthalene-1-carboxylic acid
CID 67149549
ethyl (2R)-6-(ethoxycarbonylamino)-2-[[(1R,4S)-4-[4-[(2-methoxybenzoyl)amino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]hexanoate
CID 58025380
2-methoxybenzaldehyde;methyl 3-[[(1R,4S)-4-[4-(methylamino)piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carbonyl]amino]propanoate
CID 143660095

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
The IUPAC name of methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate (CID 58025523) is methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate.
What is the SMILES notation for methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
The canonical SMILES for methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate is COC(=O)C1(c2ccccc2)CC[C@@H](C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c2ccccc21.
What is the InChIKey of methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
The InChIKey is CSWWTQBSTYDAES-WIZGVZBGSA-N. The full InChI is InChI=1S/C29H36N2O5/c1-28(2,3)36-27(34)30-21-15-18-31(19-16-21)25(32)23-14-17-29(26(33)35-4,20-10-6-5-7-11-20)24-13-9-8-12-22(23)24/h5-13,21,23H,14-19H2,1-4H3,(H,30,34)/t23-,29?/m1/s1.
What are the key properties of methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate?
methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate has a molecular weight of 492.62 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]-1-phenyl-3,4-dihydro-2H-naphthalene-1-carboxylate is sourced from PubChem (CID 58025523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).