N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride

C22H31ClN2O3 — CID 67615347

IUPACN-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
SMILESCCCCN1CCC(NC(=O)c2c(OC)cc3ccccc3c2OC)CC1.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-4-5-12-24-13-10-17(11-14-24)23-22(25)20-19(26-2)15-16-8-6-7-9-18(16)21(20)27-3;/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,23,25);1H
InChIKeyUYXQWNMXNFBNKF-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.27
Rot. Bonds7

About N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride

N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride (PubChem CID 67615347) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
PubChem CID67615347
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC NameN-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
SMILESCCCCN1CCC(NC(=O)c2c(OC)cc3ccccc3c2OC)CC1.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-4-5-12-24-13-10-17(11-14-24)23-22(25)20-19(26-2)15-16-8-6-7-9-18(16)21(20)27-3;/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,23,25);1H
InChIKeyUYXQWNMXNFBNKF-UHFFFAOYSA-N
XLogP4.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride (CID 67615347) is N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride is CCCCN1CCC(NC(=O)c2c(OC)cc3ccccc3c2OC)CC1.Cl.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride?
The InChIKey is UYXQWNMXNFBNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3.ClH/c1-4-5-12-24-13-10-17(11-14-24)23-22(25)20-19(26-2)15-16-8-6-7-9-18(16)21(20)27-3;/h6-9,15,17H,4-5,10-14H2,1-3H3,(H,23,25);1H.
What are the key properties of N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride?
N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride has a molecular weight of 406.95 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 67615347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).