N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide

C26H30N2O3 — CID 175640483

IUPACN-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(-c2cccc3cc(C(=O)NC4CCN(CCO)CC4)ccc23)cc1C
InChIInChI=1S/C26H30N2O3/c1-18-16-20(7-9-25(18)31-2)23-5-3-4-19-17-21(6-8-24(19)23)26(30)27-22-10-12-28(13-11-22)14-15-29/h3-9,16-17,22,29H,10-15H2,1-2H3,(H,27,30)
InChIKeyXQGMGSAPPNQJEO-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide

N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide (PubChem CID 175640483) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide
PubChem CID175640483
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC NameN-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide
SMILESCOc1ccc(-c2cccc3cc(C(=O)NC4CCN(CCO)CC4)ccc23)cc1C
InChIInChI=1S/C26H30N2O3/c1-18-16-20(7-9-25(18)31-2)23-5-3-4-19-17-21(6-8-24(19)23)26(30)27-22-10-12-28(13-11-22)14-15-29/h3-9,16-17,22,29H,10-15H2,1-2H3,(H,27,30)
InChIKeyXQGMGSAPPNQJEO-UHFFFAOYSA-N
XLogP4.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
N-cyclobutyl-4-methoxy-3-methylbenzamide
CID 121342416
4-amino-N-[1-(2-aminoethyl)piperidin-4-yl]-3-methoxybenzamide
CID 156882442
N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-4-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 59600252
4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-(2,3-dichlorophenyl)-N-[1-[2-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidin-4-yl]benzamide
CID 44528882
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134803410
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
3-chloro-N-cyclopentyl-4-[1-(2-hydroxyethyl)piperidin-4-yl]oxybenzamide
CID 72877025
3-hydroxy-N-(1-propylpiperidin-4-yl)benzamide
CID 60664742

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide?
The IUPAC name of N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide (CID 175640483) is N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide is COc1ccc(-c2cccc3cc(C(=O)NC4CCN(CCO)CC4)ccc23)cc1C.
What is the InChIKey of N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide?
The InChIKey is XQGMGSAPPNQJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-18-16-20(7-9-25(18)31-2)23-5-3-4-19-17-21(6-8-24(19)23)26(30)27-22-10-12-28(13-11-22)14-15-29/h3-9,16-17,22,29H,10-15H2,1-2H3,(H,27,30).
What are the key properties of N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide?
N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethyl)piperidin-4-yl]-5-(4-methoxy-3-methylphenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 175640483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).