5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C23H30N4O2 — CID 10620661

IUPAC5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-21-9-5-6-18-19(21)7-4-8-20(18)23(28)25-12-13-26-14-16-27(17-15-26)22-10-2-3-11-24-22/h2-3,5-6,9-11,20H,4,7-8,12-17H2,1H3,(H,25,28)
InChIKeyFLUORPLKDHALHQ-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.45
Rot. Bonds6

About 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 10620661) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID10620661
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1cccc2c1CCCC2C(=O)NCCN1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-21-9-5-6-18-19(21)7-4-8-20(18)23(28)25-12-13-26-14-16-27(17-15-26)22-10-2-3-11-24-22/h2-3,5-6,9-11,20H,4,7-8,12-17H2,1H3,(H,25,28)
InChIKeyFLUORPLKDHALHQ-UHFFFAOYSA-N
XLogP2.45
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 10620661) is 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1cccc2c1CCCC2C(=O)NCCN1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is FLUORPLKDHALHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-21-9-5-6-18-19(21)7-4-8-20(18)23(28)25-12-13-26-14-16-27(17-15-26)22-10-2-3-11-24-22/h2-3,5-6,9-11,20H,4,7-8,12-17H2,1H3,(H,25,28).
What are the key properties of 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 10620661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).