ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate

C19H33N3O4 — CID 113122126

IUPACethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCC(C)CC2)C(C)=O)CC1
InChIInChI=1S/C19H33N3O4/c1-4-26-19(25)21-12-7-17(8-13-21)22(16(3)23)14-9-18(24)20-10-5-15(2)6-11-20/h15,17H,4-14H2,1-3H3
InChIKeyRHYUWKBKHFOERE-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.10
Rot. Bonds5

About ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate

ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (PubChem CID 113122126) has the molecular formula C19H33N3O4 and a molecular weight of 367.49 g/mol. Its IUPAC name is ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
PubChem CID113122126
Molecular FormulaC19H33N3O4
Molecular Weight367.49 g/mol
Exact Mass367.25
IUPAC Nameethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(CCC(=O)N2CCC(C)CC2)C(C)=O)CC1
InChIInChI=1S/C19H33N3O4/c1-4-26-19(25)21-12-7-17(8-13-21)22(16(3)23)14-9-18(24)20-10-5-15(2)6-11-20/h15,17H,4-14H2,1-3H3
InChIKeyRHYUWKBKHFOERE-UHFFFAOYSA-N
XLogP2.10
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[acetyl-[3-(tert-butylamino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122153
ethyl 4-[[3-(4-methylpiperidin-1-yl)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108942733
ethyl 4-[2-[acetyl(cycloheptyl)amino]acetyl]piperazine-1-carboxylate
CID 113166314
ethyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 113003136
ethyl 4-[acetyl-[2-(2-methylpropanoylamino)ethyl]amino]piperidine-1-carboxylate
CID 113056358
ethyl 4-[3-[acetyl-[3-(dimethylamino)propyl]amino]propanoyl]piperazine-1-carboxylate
CID 113117857
ethyl 4-[acetyl-[3-[(4-methylphenyl)methylamino]-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122143
ethyl 4-[acetyl-[3-(4-ethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122175
ethyl 4-[acetyl-[3-(2,5-dimethylanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 113122169
ethyl 4-[acetyl-[2-(cyclopropylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 113165659
N-(4-ethoxyphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113129381
N-methyl-N-[5-(4-methylpiperidin-1-yl)-5-oxopentyl]acetamide
CID 170620733

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate (CID 113122126) is ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(CCC(=O)N2CCC(C)CC2)C(C)=O)CC1.
What is the InChIKey of ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
The InChIKey is RHYUWKBKHFOERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O4/c1-4-26-19(25)21-12-7-17(8-13-21)22(16(3)23)14-9-18(24)20-10-5-15(2)6-11-20/h15,17H,4-14H2,1-3H3.
What are the key properties of ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate?
ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 113122126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).