(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C18H24FN3O2 — CID 94821970

IUPAC(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c19-14-5-3-13(4-6-14)12-17(23)21-10-7-15(8-11-21)22-9-1-2-16(22)18(20)24/h3-6,15-16H,1-2,7-12H2,(H2,20,24)/t16-/m0/s1
InChIKeyDVWGNGNFBJRTTJ-INIZCTEOSA-N
MW333.41 g/mol
LogP1.31
Rot. Bonds4

About (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide

(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 94821970) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID94821970
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c19-14-5-3-13(4-6-14)12-17(23)21-10-7-15(8-11-21)22-9-1-2-16(22)18(20)24/h3-6,15-16H,1-2,7-12H2,(H2,20,24)/t16-/m0/s1
InChIKeyDVWGNGNFBJRTTJ-INIZCTEOSA-N
XLogP1.31
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
1-[1-(5-fluoro-1-benzofuran-2-carbonyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 139002167
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]isoindole-1,3-dione
CID 113082521
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380
1-[2-(4-fluorophenyl)acetyl]pyrrolidine-2-carboxylic acid
CID 16796004
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 21304004
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
2-(4-fluorophenyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 110721522
2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 94821970) is (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is DVWGNGNFBJRTTJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-14-5-3-13(4-6-14)12-17(23)21-10-7-15(8-11-21)22-9-1-2-16(22)18(20)24/h3-6,15-16H,1-2,7-12H2,(H2,20,24)/t16-/m0/s1.
What are the key properties of (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94821970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).