N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide

C25H26N2O4 — CID 108554010

IUPACN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H26N2O4/c1-30-20-14-18(15-21(16-20)31-2)25(29)27-12-10-19(11-13-27)26-24(28)23-9-5-7-17-6-3-4-8-22(17)23/h3-9,14-16,19H,10-13H2,1-2H3,(H,26,28)
InChIKeyMVBHEQVJBQAOEG-UHFFFAOYSA-N
MW418.49 g/mol
LogP3.89
Rot. Bonds5

About N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide

N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide (PubChem CID 108554010) has the molecular formula C25H26N2O4 and a molecular weight of 418.49 g/mol. Its IUPAC name is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
PubChem CID108554010
Molecular FormulaC25H26N2O4
Molecular Weight418.49 g/mol
Exact Mass418.19
IUPAC NameN-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cccc4ccccc34)CC2)c1
InChIInChI=1S/C25H26N2O4/c1-30-20-14-18(15-21(16-20)31-2)25(29)27-12-10-19(11-13-27)26-24(28)23-9-5-7-17-6-3-4-8-22(17)23/h3-9,14-16,19H,10-13H2,1-2H3,(H,26,28)
InChIKeyMVBHEQVJBQAOEG-UHFFFAOYSA-N
XLogP3.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
2-methoxy-N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]benzamide
CID 108549225
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 108555881
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide (CID 108554010) is N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(NC(=O)c3cccc4ccccc34)CC2)c1.
What is the InChIKey of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide?
The InChIKey is MVBHEQVJBQAOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4/c1-30-20-14-18(15-21(16-20)31-2)25(29)27-12-10-19(11-13-27)26-24(28)23-9-5-7-17-6-3-4-8-22(17)23/h3-9,14-16,19H,10-13H2,1-2H3,(H,26,28).
What are the key properties of N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide?
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide has a molecular weight of 418.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 108554010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).