ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate

C19H30N4O2 — CID 173102328

IUPACethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cccc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-25-19(24)23-9-7-16(8-10-23)20-17-5-4-6-18(15-17)22-13-11-21(2)12-14-22/h4-6,15-16,20H,3,7-14H2,1-2H3
InChIKeyFZELIXSAPKCUII-UHFFFAOYSA-N
MW346.48 g/mol
LogP2.47
Rot. Bonds4

About ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate

ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate (PubChem CID 173102328) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
PubChem CID173102328
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Nameethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cccc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C19H30N4O2/c1-3-25-19(24)23-9-7-16(8-10-23)20-17-5-4-6-18(15-17)22-13-11-21(2)12-14-22/h4-6,15-16,20H,3,7-14H2,1-2H3
InChIKeyFZELIXSAPKCUII-UHFFFAOYSA-N
XLogP2.47
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
ethyl 4-[[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531749
ethyl 4-(3-chlorophenyl)piperazine-1-carboxylate
CID 3591480
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
ethyl 4-(4-chloroanilino)piperidine-1-carboxylate
CID 2846949
ethyl 4-(1-benzothiophen-5-ylamino)piperidine-1-carboxylate
CID 43781917
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112888116
ethyl 4-(3-bromo-4-fluoroanilino)piperidine-1-carboxylate
CID 115909453
ethyl 4-[[5-(4-methylpiperazin-1-yl)-1,2,4-triazin-3-yl]amino]piperidine-1-carboxylate
CID 112945813
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate (CID 173102328) is ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cccc(N3CCN(C)CC3)c2)CC1.
What is the InChIKey of ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate?
The InChIKey is FZELIXSAPKCUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-3-25-19(24)23-9-7-16(8-10-23)20-17-5-4-6-18(15-17)22-13-11-21(2)12-14-22/h4-6,15-16,20H,3,7-14H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate?
ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate has a molecular weight of 346.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methylpiperazin-1-yl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 173102328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).