ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate

C17H34N2O2 — CID 64725967

IUPACethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N1CCC(C)CC1)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-7-21-16(20)17(6,18-13(2)3)12-15(5)19-10-8-14(4)9-11-19/h13-15,18H,7-12H2,1-6H3
InChIKeyFCNIVHIXWSGFPT-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds7

About ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate

ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate (PubChem CID 64725967) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
PubChem CID64725967
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nameethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
SMILESCCOC(=O)C(C)(CC(C)N1CCC(C)CC1)NC(C)C
InChIInChI=1S/C17H34N2O2/c1-7-21-16(20)17(6,18-13(2)3)12-15(5)19-10-8-14(4)9-11-19/h13-15,18H,7-12H2,1-6H3
InChIKeyFCNIVHIXWSGFPT-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(ethylamino)-2-methyl-4-(4-methylpiperidin-1-yl)pentanoate
CID 64727965
ethyl 2-methyl-4-(3-methylpyrrolidin-1-yl)-2-(propylamino)pentanoate
CID 64710612
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710220
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64709380
ethyl 2-(ethylamino)-2-methyl-4-piperidin-1-ylpentanoate
CID 64727597
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
ethyl 4-(3-methoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentanoate
CID 102966600
ethyl 4-(2,6-dimethylmorpholin-4-yl)-2-methyl-2-(methylamino)pentanoate
CID 64727585
ethyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanoate
CID 79184771
ethyl 4-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64705146
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate?
The IUPAC name of ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate (CID 64725967) is ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate.
What is the SMILES notation for ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate?
The canonical SMILES for ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate is CCOC(=O)C(C)(CC(C)N1CCC(C)CC1)NC(C)C.
What is the InChIKey of ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate?
The InChIKey is FCNIVHIXWSGFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-7-21-16(20)17(6,18-13(2)3)12-15(5)19-10-8-14(4)9-11-19/h13-15,18H,7-12H2,1-6H3.
What are the key properties of ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate?
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate has a molecular weight of 298.47 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate is sourced from PubChem (CID 64725967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).