(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide

C20H26FN3O2 — CID 9114901

IUPAC(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide
SMILESC[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c1-15(20(25)23-17-9-7-16(21)8-10-17)22-14-18(19-6-5-13-26-19)24-11-3-2-4-12-24/h5-10,13,15,18,22H,2-4,11-12,14H2,1H3,(H,23,25)/t15-,18+/m1/s1
InChIKeyRTUNJAOKVMRPCL-QAPCUYQASA-N
MW359.45 g/mol
LogP3.56
Rot. Bonds7

About (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide

(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide (PubChem CID 9114901) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide
PubChem CID9114901
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide
SMILESC[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O2/c1-15(20(25)23-17-9-7-16(21)8-10-17)22-14-18(19-6-5-13-26-19)24-11-3-2-4-12-24/h5-10,13,15,18,22H,2-4,11-12,14H2,1H3,(H,23,25)/t15-,18+/m1/s1
InChIKeyRTUNJAOKVMRPCL-QAPCUYQASA-N
XLogP3.56
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]propanoic acid
CID 66174492
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111007685
2-[[ethylamino-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]methylidene]amino]-N-(4-fluorophenyl)acetamide;hydroiodide
CID 111007684
4-acetamido-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 40804110
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
(3S)-3-[[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-N-(4-methoxyphenyl)butanamide
CID 30124564
1-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-3-phenylurea
CID 112503366
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
1-(2-fluorophenyl)-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]urea
CID 41013932
4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 110302511
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentan-2-amine
CID 43202553

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide (CID 9114901) is (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide is C[C@@H](NC[C@@H](c1ccco1)N1CCCCC1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide?
The InChIKey is RTUNJAOKVMRPCL-QAPCUYQASA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-15(20(25)23-17-9-7-16(21)8-10-17)22-14-18(19-6-5-13-26-19)24-11-3-2-4-12-24/h5-10,13,15,18,22H,2-4,11-12,14H2,1H3,(H,23,25)/t15-,18+/m1/s1.
What are the key properties of (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide?
(2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide has a molecular weight of 359.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-fluorophenyl)-2-[[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]propanamide is sourced from PubChem (CID 9114901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).