tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate

C24H34N2O5 — CID 66663411

IUPACtert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2
InChIInChI=1S/C24H34N2O5/c1-23(2,3)31-22(29)26-12-10-24(4,11-13-26)21(28)25-19-9-8-16-6-7-17(20(27)30-5)14-18(16)15-19/h6-7,14,19H,8-13,15H2,1-5H3,(H,25,28)
InChIKeyHVKGSRPNVMHSHG-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.48
Rot. Bonds3

About tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate (PubChem CID 66663411) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate
PubChem CID66663411
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Nametert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CC(NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2
InChIInChI=1S/C24H34N2O5/c1-23(2,3)31-22(29)26-12-10-24(4,11-13-26)21(28)25-19-9-8-16-6-7-17(20(27)30-5)14-18(16)15-19/h6-7,14,19H,8-13,15H2,1-5H3,(H,25,28)
InChIKeyHVKGSRPNVMHSHG-UHFFFAOYSA-N
XLogP3.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate with MolForge

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Related Compounds

dimethyl (4bS,8S)-8-[(4-ethoxy-4-oxobutyl)carbamoyl]-4b,8-dimethyl-5,6,7,8a-tetrahydrophenanthrene-2,3-dicarboxylate
CID 44362066
Methyl 2-(4-(1-acetamidoethyl)benzyl)-1,2,3,4-tetrahydroisoquinoline-6-carboxylate
CID 118940227
(5S,6R)-5-Methyl-6-propylamino-5,6,7,8-tetrahydro-naphthalene-1-carboxylic acid methyl ester
CID 44374431
US10301253, Example 34
CID 122463372
US10301253, Example 32
CID 122463376
6-{[(Tert-butoxy)carbonyl]amino}-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
CID 23359766
6-{[(Tert-butoxy)carbonyl]amino}-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 86346322
(2R,6R,11S)-6,11-Dimethyl-3-(2,2,2-trifluoro-acetyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocine-8-carboxylic acid methyl ester
CID 58124047
Methyl 3-fluoro-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 66679491
methyl (13S)-1,13-dimethyl-10-(2,2,2-trifluoroacetyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 87408289
methyl (1R)-1,13-dimethyl-10-(2,2,2-trifluoroacetyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 126493680
methyl (1R,9R)-1,13-dimethyl-10-(2,2,2-trifluoroacetyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-4-carboxylate
CID 143805228

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate (CID 66663411) is tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate is COC(=O)c1ccc2c(c1)CC(NC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2.
What is the InChIKey of tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate?
The InChIKey is HVKGSRPNVMHSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-23(2,3)31-22(29)26-12-10-24(4,11-13-26)21(28)25-19-9-8-16-6-7-17(20(27)30-5)14-18(16)15-19/h6-7,14,19H,8-13,15H2,1-5H3,(H,25,28).
What are the key properties of tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(7-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 66663411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).