3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid

C19H25FN2O3 — CID 72884410

IUPAC3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESO=C(CN1CCCC(CC2CC2)(C(=O)O)C1)NCc1ccccc1F
InChIInChI=1S/C19H25FN2O3/c20-16-5-2-1-4-15(16)11-21-17(23)12-22-9-3-8-19(13-22,18(24)25)10-14-6-7-14/h1-2,4-5,14H,3,6-13H2,(H,21,23)(H,24,25)
InChIKeyRMULJRSVMPMXAB-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.41
Rot. Bonds7

About 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid

3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 72884410) has the molecular formula C19H25FN2O3 and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID72884410
Molecular FormulaC19H25FN2O3
Molecular Weight348.42 g/mol
Exact Mass348.18
IUPAC Name3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESO=C(CN1CCCC(CC2CC2)(C(=O)O)C1)NCc1ccccc1F
InChIInChI=1S/C19H25FN2O3/c20-16-5-2-1-4-15(16)11-21-17(23)12-22-9-3-8-19(13-22,18(24)25)10-14-6-7-14/h1-2,4-5,14H,3,6-13H2,(H,21,23)(H,24,25)
InChIKeyRMULJRSVMPMXAB-UHFFFAOYSA-N
XLogP2.41
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97155939
N-[(2-fluorophenyl)methyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60672266
N-[(2-fluorophenyl)methyl]-2-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-1,4-diazepan-1-yl]acetamide
CID 31313746
2-[(3S)-3-aminopyrrolidin-1-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 81492043
1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63031194
N-[(2-fluorophenyl)methyl]-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728348
2-(4-benzylpiperidin-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 8539276
N-[(2-fluorophenyl)methyl]-2-[4-methyl-4-(methylamino)piperidin-1-yl]acetamide
CID 115305042
N-[(2-fluorophenyl)methyl]-2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)acetamide
CID 70734297
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
ethyl (3S)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561943

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid (CID 72884410) is 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid is O=C(CN1CCCC(CC2CC2)(C(=O)O)C1)NCc1ccccc1F.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is RMULJRSVMPMXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O3/c20-16-5-2-1-4-15(16)11-21-17(23)12-22-9-3-8-19(13-22,18(24)25)10-14-6-7-14/h1-2,4-5,14H,3,6-13H2,(H,21,23)(H,24,25).
What are the key properties of 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid?
3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 348.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72884410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).