3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid

C17H26N2O2 — CID 65059132

IUPAC3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
SMILESCC(C)N1CCC(N(CCC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-14(2)18-11-8-16(9-12-18)19(13-10-17(20)21)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21)
InChIKeyUXNMLRYMNDAXIZ-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.84
Rot. Bonds6

About 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid

3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid (PubChem CID 65059132) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid.

Molecular Properties

Compound Name3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
PubChem CID65059132
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid
SMILESCC(C)N1CCC(N(CCC(=O)O)c2ccccc2)CC1
InChIInChI=1S/C17H26N2O2/c1-14(2)18-11-8-16(9-12-18)19(13-10-17(20)21)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21)
InChIKeyUXNMLRYMNDAXIZ-UHFFFAOYSA-N
XLogP2.84
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-(1-propan-2-ylpiperidin-4-yl)amino]propanoic acid
CID 65059244
3-(N-(3-methoxycyclobutyl)anilino)propanoic acid
CID 106824286
3-(N-(1-ethylpiperidin-4-yl)-4-methylanilino)propanoic acid
CID 65059499
3-(N-(1,1-dioxothiolan-3-yl)anilino)propanoic acid
CID 60838391
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
3-[propan-2-yl-(1-propan-2-ylpyrrolidin-3-yl)amino]propanoic acid
CID 65056765
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 86736486
4-[methyl-(1-propan-2-ylazepan-4-yl)amino]butanoic acid
CID 65076652
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
2-[propan-2-yl-(1-propan-2-ylpiperidin-4-yl)amino]acetic acid
CID 65057099
6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 60953422

Frequently Asked Questions

What is the IUPAC name of 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid?
The IUPAC name of 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid (CID 65059132) is 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid.
What is the SMILES notation for 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid?
The canonical SMILES for 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid is CC(C)N1CCC(N(CCC(=O)O)c2ccccc2)CC1.
What is the InChIKey of 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid?
The InChIKey is UXNMLRYMNDAXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)18-11-8-16(9-12-18)19(13-10-17(20)21)15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,20,21).
What are the key properties of 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid?
3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid has a molecular weight of 290.41 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-(1-propan-2-ylpiperidin-4-yl)anilino)propanoic acid is sourced from PubChem (CID 65059132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).