methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate

C23H34N2O5 — CID 97254272

IUPACmethyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate
SMILESCOC(=O)C1(O)CCN(C(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1
InChIInChI=1S/C23H34N2O5/c1-15(2)18(20(27)25-13-11-23(29,12-14-25)21(28)30-6)24-19(26)16-7-9-17(10-8-16)22(3,4)5/h7-10,15,18,29H,11-14H2,1-6H3,(H,24,26)/t18-/m1/s1
InChIKeyOAWNKBYLSMIDGA-GOSISDBHSA-N
MW418.53 g/mol
LogP2.27
Rot. Bonds5

About methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate

methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate (PubChem CID 97254272) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate
PubChem CID97254272
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Namemethyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate
SMILESCOC(=O)C1(O)CCN(C(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1
InChIInChI=1S/C23H34N2O5/c1-15(2)18(20(27)25-13-11-23(29,12-14-25)21(28)30-6)24-19(26)16-7-9-17(10-8-16)22(3,4)5/h7-10,15,18,29H,11-14H2,1-6H3,(H,24,26)/t18-/m1/s1
InChIKeyOAWNKBYLSMIDGA-GOSISDBHSA-N
XLogP2.27
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate with MolForge

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Related Compounds

N-[(2R)-1-(azetidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 9115909
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251061
4-tert-butyl-N-[(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55944109
4-tert-butyl-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119563820
4-tert-butyl-N-[3-methyl-1-(4-methylsulfonylpiperazin-1-yl)-1-oxobutan-2-yl]benzamide
CID 55437877
4-tert-butyl-N-[1-(1,4-diazepan-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 119418511
N-[1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-methyl-1-oxobutan-2-yl]-4-tert-butylbenzamide
CID 120656553
4-tert-butyl-N-[1-(2,4-dioxo-1,3,9-triazaspiro[4.5]decan-9-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 154864361
methyl 1-(2-benzamido-3-methylbutanoyl)-4-(4-chlorophenyl)piperidine-4-carboxylate
CID 67300060
4-methoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 7997539
4-methyl-N-[3-methyl-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 18159891
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate (CID 97254272) is methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate is COC(=O)C1(O)CCN(C(=O)[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)CC1.
What is the InChIKey of methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate?
The InChIKey is OAWNKBYLSMIDGA-GOSISDBHSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-15(2)18(20(27)25-13-11-23(29,12-14-25)21(28)30-6)24-19(26)16-7-9-17(10-8-16)22(3,4)5/h7-10,15,18,29H,11-14H2,1-6H3,(H,24,26)/t18-/m1/s1.
What are the key properties of methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate?
methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate has a molecular weight of 418.53 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 97254272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).