(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide

C21H28FN3O2 — CID 125166950

IUPAC(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCCN1C(=O)C1CC1
InChIInChI=1S/C21H28FN3O2/c22-16-6-8-18(9-7-16)24-13-10-17(11-14-24)23-20(26)19-3-1-2-12-25(19)21(27)15-4-5-15/h6-9,15,17,19H,1-5,10-14H2,(H,23,26)/t19-/m1/s1
InChIKeyOLILGTGCZSAZMV-LJQANCHMSA-N
MW373.47 g/mol
LogP2.70
Rot. Bonds4

About (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide

(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide (PubChem CID 125166950) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide
PubChem CID125166950
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC Name(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide
SMILESO=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCCN1C(=O)C1CC1
InChIInChI=1S/C21H28FN3O2/c22-16-6-8-18(9-7-16)24-13-10-17(11-14-24)23-20(26)19-3-1-2-12-25(19)21(27)15-4-5-15/h6-9,15,17,19H,1-5,10-14H2,(H,23,26)/t19-/m1/s1
InChIKeyOLILGTGCZSAZMV-LJQANCHMSA-N
XLogP2.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110285757
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
N-cyclopentyl-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373858
(2S)-N-cyclopentyl-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865510
1-N-cyclopentyl-4-N-(4-piperidin-1-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145891
N-cyclopentyl-4-(4-fluorophenyl)piperazine-2-carboxamide
CID 110086700
N-cyclopentyl-5-[4-(4-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 109182203
N-[1-(4-fluorophenyl)piperidin-4-yl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 118762258
1-(cyclopropanecarbonyl)-N-(1-phenylpiperidin-4-yl)piperidine-4-carboxamide
CID 72921042
2,2,2-trifluoroethyl 2-[[1-(4-cyanophenyl)piperidin-4-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 86885877
N-cyclopropyl-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 47127339
(2S)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-fluorophenyl)piperidin-4-yl]pyrrolidine-1-carboxamide
CID 126436399

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide?
The IUPAC name of (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide (CID 125166950) is (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide?
The canonical SMILES for (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide is O=C(NC1CCN(c2ccc(F)cc2)CC1)[C@H]1CCCCN1C(=O)C1CC1.
What is the InChIKey of (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide?
The InChIKey is OLILGTGCZSAZMV-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28FN3O2/c22-16-6-8-18(9-7-16)24-13-10-17(11-14-24)23-20(26)19-3-1-2-12-25(19)21(27)15-4-5-15/h6-9,15,17,19H,1-5,10-14H2,(H,23,26)/t19-/m1/s1.
What are the key properties of (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide?
(2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide has a molecular weight of 373.47 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(cyclopropanecarbonyl)-N-[1-(4-fluorophenyl)piperidin-4-yl]piperidine-2-carboxamide is sourced from PubChem (CID 125166950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).