N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide

C24H30N4O2 — CID 56568887

IUPACN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N4O2/c1-18(2)12-15-28-16-13-22(14-17-28)25-23(29)19-8-10-21(11-9-19)27-24(30)26-20-6-4-3-5-7-20/h3-12,22H,13-17H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyMIUBHRWLXFYTQE-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.49
Rot. Bonds6

About N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide

N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 56568887) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
PubChem CID56568887
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide
SMILESCC(C)=CCN1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1
InChIInChI=1S/C24H30N4O2/c1-18(2)12-15-28-16-13-22(14-17-28)25-23(29)19-8-10-21(11-9-19)27-24(30)26-20-6-4-3-5-7-20/h3-12,22H,13-17H2,1-2H3,(H,25,29)(H2,26,27,30)
InChIKeyMIUBHRWLXFYTQE-UHFFFAOYSA-N
XLogP4.49
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759
4-phenyl-N-(1-prop-2-enylpiperidin-4-yl)benzamide
CID 75538554
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
N-(1-benzylpiperidin-4-yl)-4-(cyclopropanecarbonylamino)benzamide
CID 27673222
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
CID 56568108
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(phenylcarbamoylamino)benzamide;hydrochloride
CID 119457174
4-acetamido-N-(1-methylpiperidin-4-yl)benzamide
CID 47114509
4-(cyclopropylcarbamoylamino)-N-phenylbenzamide
CID 39885806
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-N'-(3-methylphenyl)oxamide
CID 56803510
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
CID 56568935

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide (CID 56568887) is N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide is CC(C)=CCN1CCC(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is MIUBHRWLXFYTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-18(2)12-15-28-16-13-22(14-17-28)25-23(29)19-8-10-21(11-9-19)27-24(30)26-20-6-4-3-5-7-20/h3-12,22H,13-17H2,1-2H3,(H,25,29)(H2,26,27,30).
What are the key properties of N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide?
N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 406.53 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 56568887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).