N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride

C19H23ClN4O3 — CID 90643582

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCO2)N1CCNCC1COc1cccnc1
InChIInChI=1S/C19H22N4O3.ClH/c24-19(22-15-3-4-18-14(10-15)5-9-25-18)23-8-7-21-11-16(23)13-26-17-2-1-6-20-12-17;/h1-4,6,10,12,16,21H,5,7-9,11,13H2,(H,22,24);1H
InChIKeyMEKSKIQJWGIPCU-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.32
Rot. Bonds4

About N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride

N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 90643582) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
PubChem CID90643582
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc2c(c1)CCO2)N1CCNCC1COc1cccnc1
InChIInChI=1S/C19H22N4O3.ClH/c24-19(22-15-3-4-18-14(10-15)5-9-25-18)23-8-7-21-11-16(23)13-26-17-2-1-6-20-12-17;/h1-4,6,10,12,16,21H,5,7-9,11,13H2,(H,22,24);1H
InChIKeyMEKSKIQJWGIPCU-UHFFFAOYSA-N
XLogP2.32
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride (CID 90643582) is N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is Cl.O=C(Nc1ccc2c(c1)CCO2)N1CCNCC1COc1cccnc1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is MEKSKIQJWGIPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c24-19(22-15-3-4-18-14(10-15)5-9-25-18)23-8-7-21-11-16(23)13-26-17-2-1-6-20-12-17;/h1-4,6,10,12,16,21H,5,7-9,11,13H2,(H,22,24);1H.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride?
N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 90643582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).