N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide

C26H35N3O3 — CID 46037912

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)C(=O)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C26H35N3O3/c1-4-19(2)25(30)28-21-14-17-29(18-15-21)23-11-7-6-10-22(23)26(31)27-16-13-20-9-5-8-12-24(20)32-3/h5-12,19,21H,4,13-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyVDKQTHIYACEQCO-UHFFFAOYSA-N
MW437.58 g/mol
LogP3.80
Rot. Bonds9

About N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide

N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide (PubChem CID 46037912) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
PubChem CID46037912
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)C(=O)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2OC)CC1
InChIInChI=1S/C26H35N3O3/c1-4-19(2)25(30)28-21-14-17-29(18-15-21)23-11-7-6-10-22(23)26(31)27-16-13-20-9-5-8-12-24(20)32-3/h5-12,19,21H,4,13-18H2,1-3H3,(H,27,31)(H,28,30)
InChIKeyVDKQTHIYACEQCO-UHFFFAOYSA-N
XLogP3.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037909
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037903
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
N-(cyclohexylmethyl)-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848215
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-(2-methoxyethyl)-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 42847988
(2S)-2-amino-N-[1-(2-methoxyphenyl)piperidin-4-yl]butanamide
CID 119866158
2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide (CID 46037912) is N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide is CCC(C)C(=O)NC1CCN(c2ccccc2C(=O)NCCc2ccccc2OC)CC1.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide?
The InChIKey is VDKQTHIYACEQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-4-19(2)25(30)28-21-14-17-29(18-15-21)23-11-7-6-10-22(23)26(31)27-16-13-20-9-5-8-12-24(20)32-3/h5-12,19,21H,4,13-18H2,1-3H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide?
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide has a molecular weight of 437.58 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbutanoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 46037912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).