(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid

C25H32N2O3 — CID 163593216

IUPAC(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid
SMILESCC(=O)N1CCC(CC(CC(=O)O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H32N2O3/c1-18(28)27-13-11-20(12-14-27)15-23(17-25(29)30)24(26)16-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,20,23-24H,11-17,26H2,1H3,(H,29,30)/t23?,24-/m1/s1
InChIKeyGRGJJRNXDVTFCN-XMMISQBUSA-N
MW408.54 g/mol
LogP3.96
Rot. Bonds8

About (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid

(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid (PubChem CID 163593216) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid.

Molecular Properties

Compound Name(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid
PubChem CID163593216
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid
SMILESCC(=O)N1CCC(CC(CC(=O)O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H32N2O3/c1-18(28)27-13-11-20(12-14-27)15-23(17-25(29)30)24(26)16-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,20,23-24H,11-17,26H2,1H3,(H,29,30)/t23?,24-/m1/s1
InChIKeyGRGJJRNXDVTFCN-XMMISQBUSA-N
XLogP3.96
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid with MolForge

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Related Compounds

(2R)-2-amino-3-hydroxy-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]propan-1-one
CID 142479897
(2S)-2-methyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]butan-1-one
CID 92757331
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
3-amino-4-(4-phenylphenyl)butan-2-one;ethane
CID 176709550
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
1-[4-[[4-(1-phenylpropan-2-ylamino)phenyl]methyl]piperidin-1-yl]ethanone
CID 19390855
(2S)-2-amino-N-(1-cyclopropylpropan-2-yl)-3-phenylpropanamide
CID 78955758
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
1-[4-[[[3-amino-3-(3-phenylphenyl)propyl]amino]methyl]piperidin-1-yl]ethanone
CID 168964990
4-[(1-acetylpiperidin-4-yl)methylcarbamoylamino]-5-phenylpentanoic acid
CID 122001047

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid?
The IUPAC name of (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid (CID 163593216) is (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid.
What is the SMILES notation for (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid?
The canonical SMILES for (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid is CC(=O)N1CCC(CC(CC(=O)O)[C@H](N)Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid?
The InChIKey is GRGJJRNXDVTFCN-XMMISQBUSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-18(28)27-13-11-20(12-14-27)15-23(17-25(29)30)24(26)16-19-7-9-22(10-8-19)21-5-3-2-4-6-21/h2-10,20,23-24H,11-17,26H2,1H3,(H,29,30)/t23?,24-/m1/s1.
What are the key properties of (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid?
(4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid has a molecular weight of 408.54 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1-acetylpiperidin-4-yl)methyl]-4-amino-5-(4-phenylphenyl)pentanoic acid is sourced from PubChem (CID 163593216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).