(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide

C19H26FN3O2 — CID 94812898

IUPAC(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-5-2-1-4-14(16)7-8-18(24)22-12-9-15(10-13-22)23-11-3-6-17(23)19(21)25/h1-2,4-5,15,17H,3,6-13H2,(H2,21,25)/t17-/m1/s1
InChIKeyILTZAQNIFLELRB-QGZVFWFLSA-N
MW347.43 g/mol
LogP1.70
Rot. Bonds5

About (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 94812898) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID94812898
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C19H26FN3O2/c20-16-5-2-1-4-14(16)7-8-18(24)22-12-9-15(10-13-22)23-11-3-6-17(23)19(21)25/h1-2,4-5,15,17H,3,6-13H2,(H2,21,25)/t17-/m1/s1
InChIKeyILTZAQNIFLELRB-QGZVFWFLSA-N
XLogP1.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
1-[4-(azepan-1-yl)piperidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110667113
(2S)-1-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]pyrrolidine-2-carboxamide
CID 94821970
(2R)-1-[1-(3-thiophen-3-ylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 95299250
3-(2-fluorophenyl)-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 94133767
1-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55802493
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822692
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
(6R)-1-acetyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124982435
3-(2-fluorophenyl)-1-[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]propan-1-one
CID 131704051
4-[3-(2-fluorophenyl)propanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110421664
1-[4-(2-cyclopropyl-2-phenylacetyl)piperazin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 110611425

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide (CID 94812898) is (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide is NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCc2ccccc2F)CC1.
What is the InChIKey of (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is ILTZAQNIFLELRB-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26FN3O2/c20-16-5-2-1-4-14(16)7-8-18(24)22-12-9-15(10-13-22)23-11-3-6-17(23)19(21)25/h1-2,4-5,15,17H,3,6-13H2,(H2,21,25)/t17-/m1/s1.
What are the key properties of (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 347.43 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 94812898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).