1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide

C24H29FN4O3 — CID 4964862

IUPAC1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
SMILESCC(N)C(=O)N1CCC(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O3/c1-16(26)24(32)29-13-11-18(12-14-29)22(30)28-21(15-17-5-3-2-4-6-17)23(31)27-20-9-7-19(25)8-10-20/h2-10,16,18,21H,11-15,26H2,1H3,(H,27,31)(H,28,30)
InChIKeyXBCIAIFMNHPXTN-UHFFFAOYSA-N
MW440.52 g/mol
LogP2.08
Rot. Bonds7

About 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide

1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide (PubChem CID 4964862) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
PubChem CID4964862
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC Name1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
SMILESCC(N)C(=O)N1CCC(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C24H29FN4O3/c1-16(26)24(32)29-13-11-18(12-14-29)22(30)28-21(15-17-5-3-2-4-6-17)23(31)27-20-9-7-19(25)8-10-20/h2-10,16,18,21H,11-15,26H2,1H3,(H,27,31)(H,28,30)
InChIKeyXBCIAIFMNHPXTN-UHFFFAOYSA-N
XLogP2.08
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-aminopropanoyl]-N-[(2R)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide
CID 92507931
(2R)-2-[[1-[(2S)-2-amino-4-methylpentanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 7093458
1-(2-amino-3-phenylpropanoyl)-N-phenylpiperidine-4-carboxamide;hydrochloride
CID 119272890
(2R)-2-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-(4-fluorophenyl)propanoic acid
CID 97271919
tert-butyl N-[(2R)-1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40944603
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]cyclopropanecarboxamide
CID 54773713
N-(4-fluorophenyl)-1-[2-[4-(2-methylpropyl)phenyl]propanoyl]piperidine-4-carboxamide
CID 127035455
2-[[1-(2-amino-4-methylsulfanylbutanoyl)piperidine-4-carbonyl]amino]-3-phenylpropanoic acid
CID 3805780
tert-butyl (2R)-2-[4-[[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]piperidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 124554785
(2S)-2-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-methylbutanoic acid;hydrochloride
CID 52993906
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 72864947

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide (CID 4964862) is 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide is CC(N)C(=O)N1CCC(C(=O)NC(Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide?
The InChIKey is XBCIAIFMNHPXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-16(26)24(32)29-13-11-18(12-14-29)22(30)28-21(15-17-5-3-2-4-6-17)23(31)27-20-9-7-19(25)8-10-20/h2-10,16,18,21H,11-15,26H2,1H3,(H,27,31)(H,28,30).
What are the key properties of 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide?
1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropanoyl)-N-[1-(4-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 4964862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).