3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid

C18H25ClN2O3 — CID 53215582

IUPAC3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
SMILESCC1CCN(CC(=O)NCC(CC(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O3/c1-13-6-8-21(9-7-13)12-17(22)20-11-15(10-18(23)24)14-2-4-16(19)5-3-14/h2-5,13,15H,6-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyZTBSEOAHAHSYFT-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.75
Rot. Bonds7

About 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid

3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid (PubChem CID 53215582) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
PubChem CID53215582
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid
SMILESCC1CCN(CC(=O)NCC(CC(=O)O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H25ClN2O3/c1-13-6-8-21(9-7-13)12-17(22)20-11-15(10-18(23)24)14-2-4-16(19)5-3-14/h2-5,13,15H,6-12H2,1H3,(H,20,22)(H,23,24)
InChIKeyZTBSEOAHAHSYFT-UHFFFAOYSA-N
XLogP2.75
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
3-(4-chlorophenyl)-4-[3-(2-methylpiperidin-1-yl)propanoylamino]butanoic acid
CID 53215551
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 112504355
3-(4-chlorophenyl)-4-(ethylamino)butanoic acid
CID 142142962
2-(4-aminopiperidin-1-yl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 81353847
2-(4-aminopiperidin-1-yl)-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 79328175
N-[2-(4-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 112504356
3-(4-chlorophenyl)-5-(methylamino)-5-oxopentanoic acid
CID 82132170
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 100678867
N-[1-(4-chlorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914573
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 20968372
2-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]acetic acid
CID 119135422

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid (CID 53215582) is 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid is CC1CCN(CC(=O)NCC(CC(=O)O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid?
The InChIKey is ZTBSEOAHAHSYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-13-6-8-21(9-7-13)12-17(22)20-11-15(10-18(23)24)14-2-4-16(19)5-3-14/h2-5,13,15H,6-12H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid?
3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid has a molecular weight of 352.86 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 53215582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).