2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide

C21H28N2O2 — CID 17173537

IUPAC2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
SMILESCCCN1CCC(NC(=O)c2c(OCC)ccc3ccccc23)CC1
InChIInChI=1S/C21H28N2O2/c1-3-13-23-14-11-17(12-15-23)22-21(24)20-18-8-6-5-7-16(18)9-10-19(20)25-4-2/h5-10,17H,3-4,11-15H2,1-2H3,(H,22,24)
InChIKeyBPTOAOIELVZDJK-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.84
Rot. Bonds6

About 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide

2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide (PubChem CID 17173537) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
PubChem CID17173537
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide
SMILESCCCN1CCC(NC(=O)c2c(OCC)ccc3ccccc23)CC1
InChIInChI=1S/C21H28N2O2/c1-3-13-23-14-11-17(12-15-23)22-21(24)20-18-8-6-5-7-16(18)9-10-19(20)25-4-2/h5-10,17H,3-4,11-15H2,1-2H3,(H,22,24)
InChIKeyBPTOAOIELVZDJK-UHFFFAOYSA-N
XLogP3.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylpiperidin-4-yl)-1,3-dimethoxynaphthalene-2-carboxamide;hydrochloride
CID 67615347
2-ethoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]naphthalene-1-carboxamide
CID 90634235
1-(2-ethoxyphenyl)-3-(1-propylpiperidin-4-yl)urea
CID 6468357
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
3-(2-ethoxyphenyl)-N-(1-propylpiperidin-4-yl)propanamide
CID 78809618
N-cyclopentyl-2,6-diethoxybenzamide
CID 118034872
N-[(2S)-butan-2-yl]-2-ethoxynaphthalene-1-carboxamide
CID 9497386
2-ethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]naphthalene-1-carboxamide
CID 42224836
2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 91812891
3-methyl-4-oxo-N-(1-propylpiperidin-4-yl)phthalazine-1-carboxamide
CID 9264807
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-1-carboxamide
CID 17173082
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide?
The IUPAC name of 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide (CID 17173537) is 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide?
The canonical SMILES for 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide is CCCN1CCC(NC(=O)c2c(OCC)ccc3ccccc23)CC1.
What is the InChIKey of 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide?
The InChIKey is BPTOAOIELVZDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-3-13-23-14-11-17(12-15-23)22-21(24)20-18-8-6-5-7-16(18)9-10-19(20)25-4-2/h5-10,17H,3-4,11-15H2,1-2H3,(H,22,24).
What are the key properties of 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide?
2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-propylpiperidin-4-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 17173537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).