N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide

C21H41N5O3 — CID 102562548

IUPACN,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
SMILESCC1CN(CCN2CCN(CCN3CCOC(C)C3)C(C(=O)N(C)C)C2)CCO1
InChIInChI=1S/C21H41N5O3/c1-18-15-24(11-13-28-18)6-5-23-7-9-26(20(17-23)21(27)22(3)4)10-8-25-12-14-29-19(2)16-25/h18-20H,5-17H2,1-4H3
InChIKeyFAMDWXUJGPDEHX-UHFFFAOYSA-N
MW411.59 g/mol
LogP-0.50
Rot. Bonds7

About N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide

N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide (PubChem CID 102562548) has the molecular formula C21H41N5O3 and a molecular weight of 411.59 g/mol. Its IUPAC name is N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
PubChem CID102562548
Molecular FormulaC21H41N5O3
Molecular Weight411.59 g/mol
Exact Mass411.32
IUPAC NameN,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide
SMILESCC1CN(CCN2CCN(CCN3CCOC(C)C3)C(C(=O)N(C)C)C2)CCO1
InChIInChI=1S/C21H41N5O3/c1-18-15-24(11-13-28-18)6-5-23-7-9-26(20(17-23)21(27)22(3)4)10-8-25-12-14-29-19(2)16-25/h18-20H,5-17H2,1-4H3
InChIKeyFAMDWXUJGPDEHX-UHFFFAOYSA-N
XLogP-0.50
TPSA51.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.59
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide (CID 102562548) is N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide is CC1CN(CCN2CCN(CCN3CCOC(C)C3)C(C(=O)N(C)C)C2)CCO1.
What is the InChIKey of N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide?
The InChIKey is FAMDWXUJGPDEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N5O3/c1-18-15-24(11-13-28-18)6-5-23-7-9-26(20(17-23)21(27)22(3)4)10-8-25-12-14-29-19(2)16-25/h18-20H,5-17H2,1-4H3.
What are the key properties of N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide?
N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide has a molecular weight of 411.59 g/mol, XLogP of -0.50, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,4-bis[2-(2-methylmorpholin-4-yl)ethyl]piperazine-2-carboxamide is sourced from PubChem (CID 102562548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).