N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide

C26H27FN4O2 — CID 42848467

IUPACN-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
SMILESO=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C26H27FN4O2/c27-20-8-6-7-19(17-20)18-28-25(32)23-11-4-5-12-24(23)31-15-13-22(14-16-31)30-26(33)29-21-9-2-1-3-10-21/h1-12,17,22H,13-16,18H2,(H,28,32)(H2,29,30,33)
InChIKeyIBZMYXYNWISKDG-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.55
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide

N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide (PubChem CID 42848467) has the molecular formula C26H27FN4O2 and a molecular weight of 446.53 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
PubChem CID42848467
Molecular FormulaC26H27FN4O2
Molecular Weight446.53 g/mol
Exact Mass446.21
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
SMILESO=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C26H27FN4O2/c27-20-8-6-7-19(17-20)18-28-25(32)23-11-4-5-12-24(23)31-15-13-22(14-16-31)30-26(33)29-21-9-2-1-3-10-21/h1-12,17,22H,13-16,18H2,(H,28,32)(H2,29,30,33)
InChIKeyIBZMYXYNWISKDG-UHFFFAOYSA-N
XLogP4.55
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 42848180
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
2-[4-[(3-chlorophenyl)carbamoylamino]piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46156249
N-butan-2-yl-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848447
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
1-cyclopropyl-3-[(3-fluorophenyl)methyl]urea
CID 47171959
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
N-[3-(dimethylamino)propyl]-2-[4-[(3-fluorobenzoyl)amino]piperidin-1-yl]benzamide
CID 42848136

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide (CID 42848467) is N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide is O=C(Nc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
The InChIKey is IBZMYXYNWISKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4O2/c27-20-8-6-7-19(17-20)18-28-25(32)23-11-4-5-12-24(23)31-15-13-22(14-16-31)30-26(33)29-21-9-2-1-3-10-21/h1-12,17,22H,13-16,18H2,(H,28,32)(H2,29,30,33).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide?
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide has a molecular weight of 446.53 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).