N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide

C26H30N2O2 — CID 122188780

IUPACN-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C26H30N2O2/c1-30-25-10-9-22-18-24(8-7-23(22)19-25)26(29)27-13-16-28-14-11-21(12-15-28)17-20-5-3-2-4-6-20/h2-10,18-19,21H,11-17H2,1H3,(H,27,29)
InChIKeyQHJHMCYAXBKCKE-UHFFFAOYSA-N
MW402.54 g/mol
LogP4.53
Rot. Bonds7

About N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide

N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide (PubChem CID 122188780) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
PubChem CID122188780
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)ccc2c1
InChIInChI=1S/C26H30N2O2/c1-30-25-10-9-22-18-24(8-7-23(22)19-25)26(29)27-13-16-28-14-11-21(12-15-28)17-20-5-3-2-4-6-20/h2-10,18-19,21H,11-17H2,1H3,(H,27,29)
InChIKeyQHJHMCYAXBKCKE-UHFFFAOYSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
6-methoxy-N-(4-phenylbutyl)naphthalene-2-carboxamide
CID 110169894
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
6-methoxy-N-(2-phenoxyethyl)naphthalene-2-carboxamide
CID 5302937
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
3-methoxy-N-[2-[(3R)-3-(2-methylphenyl)pyrrolidin-1-yl]ethyl]benzamide
CID 124730324
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide (CID 122188780) is N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide is COc1ccc2cc(C(=O)NCCN3CCC(Cc4ccccc4)CC3)ccc2c1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide?
The InChIKey is QHJHMCYAXBKCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-30-25-10-9-22-18-24(8-7-23(22)19-25)26(29)27-13-16-28-14-11-21(12-15-28)17-20-5-3-2-4-6-20/h2-10,18-19,21H,11-17H2,1H3,(H,27,29).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide?
N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)ethyl]-6-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 122188780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).