N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide

C26H33N3O2 — CID 75140863

IUPACN-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)CNC(=O)c1ccccc1N1CCC(NC(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c1-3-20(2)19-27-26(31)23-11-7-8-12-24(23)29-17-15-22(16-18-29)28-25(30)14-13-21-9-5-4-6-10-21/h4-14,20,22H,3,15-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyVTZDOSLZFPUHPZ-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.26
Rot. Bonds8

About N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide

N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide (PubChem CID 75140863) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
PubChem CID75140863
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC NameN-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
SMILESCCC(C)CNC(=O)c1ccccc1N1CCC(NC(=O)C=Cc2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c1-3-20(2)19-27-26(31)23-11-7-8-12-24(23)29-17-15-22(16-18-29)28-25(30)14-13-21-9-5-4-6-10-21/h4-14,20,22H,3,15-19H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyVTZDOSLZFPUHPZ-UHFFFAOYSA-N
XLogP4.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[1-[2-[[(2R)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]benzamide
CID 93291034
2-[4-[(4-bromobenzoyl)amino]piperidin-1-yl]-N-(2-methylbutyl)benzamide
CID 46037660
N-[1-[2-[[(2S)-2-methylbutyl]carbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 93324323
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140857
2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]-N-[(2S)-2-methylbutyl]benzamide
CID 93324251
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 42682841
2-(4-benzamidopiperidin-1-yl)-N-butan-2-ylbenzamide
CID 46037432
N-butan-2-yl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848022
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
N-cyclopropyl-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 42848047

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide (CID 75140863) is N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide is CCC(C)CNC(=O)c1ccccc1N1CCC(NC(=O)C=Cc2ccccc2)CC1.
What is the InChIKey of N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The InChIKey is VTZDOSLZFPUHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-3-20(2)19-27-26(31)23-11-7-8-12-24(23)29-17-15-22(16-18-29)28-25(30)14-13-21-9-5-4-6-10-21/h4-14,20,22H,3,15-19H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide has a molecular weight of 419.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 75140863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).