N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide

C26H29N3O3 — CID 11647671

IUPACN-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-32-23-14-8-13-22(24(23)26(31)27-15-18-29-16-5-2-6-17-29)28-25(30)21-12-7-10-19-9-3-4-11-20(19)21/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyUJTACDGKFOXDEY-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.32
Rot. Bonds7

About N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide

N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide (PubChem CID 11647671) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
PubChem CID11647671
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
SMILESCOc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NCCN1CCCCC1
InChIInChI=1S/C26H29N3O3/c1-32-23-14-8-13-22(24(23)26(31)27-15-18-29-16-5-2-6-17-29)28-25(30)21-12-7-10-19-9-3-4-11-20(19)21/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,27,31)(H,28,30)
InChIKeyUJTACDGKFOXDEY-UHFFFAOYSA-N
XLogP4.32
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methoxy-2-(piperidin-1-ylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 11553171
N-[2-(cyclobutylmethylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 11560152
2-hydroxy-3-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682639
N-[2-(azepan-1-yl)ethyl]-2-(methylamino)benzamide
CID 61377294
2-methoxy-N-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]benzamide
CID 142795437
N-[2-(2-bicyclo[2.2.2]octanylcarbamoyl)-3-methoxyphenyl]naphthalene-1-carboxamide
CID 69361041
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(2-morpholin-4-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide
CID 4003160
N-[2-(azepan-1-yl)phenyl]-2,3-dimethoxybenzamide
CID 55548838
N-(2-methoxyphenyl)-2-(2-piperidin-1-ylethylamino)acetamide
CID 44753817
2-methoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
CID 747202
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide (CID 11647671) is N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide is COc1cccc(NC(=O)c2cccc3ccccc23)c1C(=O)NCCN1CCCCC1.
What is the InChIKey of N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
The InChIKey is UJTACDGKFOXDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-32-23-14-8-13-22(24(23)26(31)27-15-18-29-16-5-2-6-17-29)28-25(30)21-12-7-10-19-9-3-4-11-20(19)21/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide?
N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide has a molecular weight of 431.54 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-2-(2-piperidin-1-ylethylcarbamoyl)phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 11647671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).