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

C28H30FN3O2 — CID 42848180

IUPACN-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
SMILESO=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C28H30FN3O2/c29-23-10-6-9-22(19-23)20-30-28(34)25-11-4-5-12-26(25)32-17-15-24(16-18-32)31-27(33)14-13-21-7-2-1-3-8-21/h1-12,19,24H,13-18,20H2,(H,30,34)(H,31,33)
InChIKeyIVRQSYIHHLFSCJ-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.47
Rot. Bonds8

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

N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide (PubChem CID 42848180) has the molecular formula C28H30FN3O2 and a molecular weight of 459.57 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
PubChem CID42848180
Molecular FormulaC28H30FN3O2
Molecular Weight459.57 g/mol
Exact Mass459.23
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
SMILESO=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1
InChIInChI=1S/C28H30FN3O2/c29-23-10-6-9-22(19-23)20-30-28(34)25-11-4-5-12-26(25)32-17-15-24(16-18-32)31-27(33)14-13-21-7-2-1-3-8-21/h1-12,19,24H,13-18,20H2,(H,30,34)(H,31,33)
InChIKeyIVRQSYIHHLFSCJ-UHFFFAOYSA-N
XLogP4.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848187
N-[(3-fluorophenyl)methyl]-2-[4-(phenylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848467
2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]-N-[(3-fluorophenyl)methyl]benzamide
CID 42848178
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582
2-[4-(3-phenylpropanoylamino)piperidin-1-yl]-N-prop-2-enylbenzamide
CID 46037750
N-[(3-fluorophenyl)methyl]-2-[4-[(4-methylphenyl)carbamoylamino]piperidin-1-yl]benzamide
CID 46038594
N-benzyl-N-methyl-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide
CID 46038156
2-[4-(3,3-dimethylbutanoylamino)piperidin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46037577
N-[1-[2-(morpholine-4-carbonyl)phenyl]piperidin-4-yl]-3-phenylpropanamide
CID 46037987
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(3-fluorophenyl)propanamide
CID 134047878
N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide (CID 42848180) is N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide is O=C(CCc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2cccc(F)c2)CC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
The InChIKey is IVRQSYIHHLFSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN3O2/c29-23-10-6-9-22(19-23)20-30-28(34)25-11-4-5-12-26(25)32-17-15-24(16-18-32)31-27(33)14-13-21-7-2-1-3-8-21/h1-12,19,24H,13-18,20H2,(H,30,34)(H,31,33).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide?
N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide has a molecular weight of 459.57 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-(3-phenylpropanoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 42848180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).