N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

C13H26N4O — CID 70915121

IUPACN-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-3-14-13(18)17-10-8-16(9-11-17)12-4-6-15(2)7-5-12/h12H,3-11H2,1-2H3,(H,14,18)
InChIKeyDWUVUCYNWIXFSS-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.43
Rot. Bonds2

About N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide

N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 70915121) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID70915121
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C2CCN(C)CC2)CC1
InChIInChI=1S/C13H26N4O/c1-3-14-13(18)17-10-8-16(9-11-17)12-4-6-15(2)7-5-12/h12H,3-11H2,1-2H3,(H,14,18)
InChIKeyDWUVUCYNWIXFSS-UHFFFAOYSA-N
XLogP0.43
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide (CID 70915121) is N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is CCNC(=O)N1CCN(C2CCN(C)CC2)CC1.
What is the InChIKey of N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is DWUVUCYNWIXFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-3-14-13(18)17-10-8-16(9-11-17)12-4-6-15(2)7-5-12/h12H,3-11H2,1-2H3,(H,14,18).
What are the key properties of N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide?
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 254.38 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 70915121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).