N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

C14H22N4O2 — CID 53185142

IUPACN-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2ccc(OC)nc2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-15-14(19)18-8-6-17(7-9-18)11-12-4-5-13(20-2)16-10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,19)
InChIKeyZYDTZCCVAQKZSI-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.94
Rot. Bonds4

About N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide

N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (PubChem CID 53185142) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
PubChem CID53185142
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(Cc2ccc(OC)nc2)CC1
InChIInChI=1S/C14H22N4O2/c1-3-15-14(19)18-8-6-17(7-9-18)11-12-4-5-13(20-2)16-10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,19)
InChIKeyZYDTZCCVAQKZSI-UHFFFAOYSA-N
XLogP0.94
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide (CID 53185142) is N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is CCNC(=O)N1CCN(Cc2ccc(OC)nc2)CC1.
What is the InChIKey of N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
The InChIKey is ZYDTZCCVAQKZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-3-15-14(19)18-8-6-17(7-9-18)11-12-4-5-13(20-2)16-10-12/h4-5,10H,3,6-9,11H2,1-2H3,(H,15,19).
What are the key properties of N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide?
N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(6-methoxy-3-pyridinyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 53185142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).