N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide

C23H28N4O2 — CID 46038545

IUPACN-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-14-24-23(29)26-19-12-15-27(16-13-19)21-11-7-6-10-20(21)22(28)25-17-18-8-4-3-5-9-18/h2-11,19H,1,12-17H2,(H,25,28)(H2,24,26,29)
InChIKeyGJRIEIOHIWSJPI-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.07
Rot. Bonds7

About N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide

N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 46038545) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID46038545
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC NameN-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
SMILESC=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C23H28N4O2/c1-2-14-24-23(29)26-19-12-15-27(16-13-19)21-11-7-6-10-20(21)22(28)25-17-18-8-4-3-5-9-18/h2-11,19H,1,12-17H2,(H,25,28)(H2,24,26,29)
InChIKeyGJRIEIOHIWSJPI-UHFFFAOYSA-N
XLogP3.07
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.07
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-cyclopropyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038566
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-(3-methylbutan-2-yl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038598
1-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-prop-2-enylurea
CID 46038618
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
N-[1-[2-(prop-2-enylcarbamoyl)phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46156126
2-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037766
N-prop-2-enyl-2-[4-[(2-thiophen-2-ylacetyl)amino]piperidin-1-yl]benzamide
CID 42848173
N-[1-[2-[(4-phenylphenyl)methylcarbamoyl]phenyl]piperidin-4-yl]thiophene-2-carboxamide
CID 46037924

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide (CID 46038545) is N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide is C=CCNC(=O)NC1CCN(c2ccccc2C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is GJRIEIOHIWSJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-2-14-24-23(29)26-19-12-15-27(16-13-19)21-11-7-6-10-20(21)22(28)25-17-18-8-4-3-5-9-18/h2-11,19H,1,12-17H2,(H,25,28)(H2,24,26,29).
What are the key properties of N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide?
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 392.50 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 46038545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).