methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate

C22H34N2O5 — CID 42393723

IUPACmethyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
SMILESCOC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1)C(C)C
InChIInChI=1S/C22H34N2O5/c1-14(2)20(22(26)28-6)23-21(25)16-7-8-18(27-5)19(13-16)29-17-9-11-24(12-10-17)15(3)4/h7-8,13-15,17,20H,9-12H2,1-6H3,(H,23,25)/t20-/m0/s1
InChIKeyMLNSIHYLVNVTGM-FQEVSTJZSA-N
MW406.52 g/mol
LogP2.87
Rot. Bonds8

About methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate

methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate (PubChem CID 42393723) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
PubChem CID42393723
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Namemethyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate
SMILESCOC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1)C(C)C
InChIInChI=1S/C22H34N2O5/c1-14(2)20(22(26)28-6)23-21(25)16-7-8-18(27-5)19(13-16)29-17-9-11-24(12-10-17)15(3)4/h7-8,13-15,17,20H,9-12H2,1-6H3,(H,23,25)/t20-/m0/s1
InChIKeyMLNSIHYLVNVTGM-FQEVSTJZSA-N
XLogP2.87
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoic acid
CID 117053796
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]benzamide
CID 97279085
4-methoxy-N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97280716
4-methoxy-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 97283103
N-(2-adamantylmethyl)-4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 25292140
1-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]piperidine-4-carbonitrile
CID 72921915
methyl 2-[(3-amino-4-methoxybenzoyl)amino]-3-methylbutanoate
CID 43452003
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
4-methoxy-N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 24793078
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 97268505
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066
4-methoxy-N-methyl-N-(oxan-2-ylmethyl)-3-(1-propan-2-ylpiperidin-4-yl)oxybenzamide
CID 45194364

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate?
The IUPAC name of methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate (CID 42393723) is methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate.
What is the SMILES notation for methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate?
The canonical SMILES for methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate is COC(=O)[C@@H](NC(=O)c1ccc(OC)c(OC2CCN(C(C)C)CC2)c1)C(C)C.
What is the InChIKey of methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate?
The InChIKey is MLNSIHYLVNVTGM-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-14(2)20(22(26)28-6)23-21(25)16-7-8-18(27-5)19(13-16)29-17-9-11-24(12-10-17)15(3)4/h7-8,13-15,17,20H,9-12H2,1-6H3,(H,23,25)/t20-/m0/s1.
What are the key properties of methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate?
methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate has a molecular weight of 406.52 g/mol, XLogP of 2.87, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxybenzoyl]amino]-3-methylbutanoate is sourced from PubChem (CID 42393723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).