(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide

C24H28FN3O3 — CID 7407153

IUPAC(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
SMILESCC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H28FN3O3/c1-16-6-8-19(9-7-16)24(31)28-12-10-21(11-13-28)27-23(30)22(26-17(2)29)15-18-4-3-5-20(25)14-18/h3-9,14,21-22H,10-13,15H2,1-2H3,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyUNPSUWBGBAYNQY-JOCHJYFZSA-N
MW425.50 g/mol
LogP2.60
Rot. Bonds6

About (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide

(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide (PubChem CID 7407153) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
PubChem CID7407153
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
SMILESCC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C24H28FN3O3/c1-16-6-8-19(9-7-16)24(31)28-12-10-21(11-13-28)27-23(30)22(26-17(2)29)15-18-4-3-5-20(25)14-18/h3-9,14,21-22H,10-13,15H2,1-2H3,(H,26,29)(H,27,30)/t22-/m1/s1
InChIKeyUNPSUWBGBAYNQY-JOCHJYFZSA-N
XLogP2.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
4-[[(2S)-2-acetamido-3-(3-fluorophenyl)propanoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 7407157
(2R)-2-acetamido-N-[1-(3-methylbenzoyl)piperidin-4-yl]-3-(2-methylphenyl)propanamide
CID 7407132
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027
2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
2-acetamido-3-(3-fluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3232501
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 49349287
2-acetamido-N-[4-[1-(2-fluoro-6-methylbenzoyl)piperidin-4-yl]phenyl]-3-(3-fluorophenyl)propanamide
CID 171681568
2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 3227064
2-acetamido-N-[1-(benzenesulfonyl)piperidin-4-yl]-3-(3-methylphenyl)propanamide
CID 6487306
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide (CID 7407153) is (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide is CC(=O)N[C@H](Cc1cccc(F)c1)C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
The InChIKey is UNPSUWBGBAYNQY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-16-6-8-19(9-7-16)24(31)28-12-10-21(11-13-28)27-23(30)22(26-17(2)29)15-18-4-3-5-20(25)14-18/h3-9,14,21-22H,10-13,15H2,1-2H3,(H,26,29)(H,27,30)/t22-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide?
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide has a molecular weight of 425.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 7407153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).