4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid

C19H26N2O4 — CID 71874985

IUPAC4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
SMILESCCCC(=O)N1CCC(C(=O)NCCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-2-3-17(22)21-12-9-15(10-13-21)18(23)20-11-8-14-4-6-16(7-5-14)19(24)25/h4-7,15H,2-3,8-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyRUGXBFKFCJNAGE-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.08
Rot. Bonds7

About 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid

4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid (PubChem CID 71874985) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
PubChem CID71874985
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
SMILESCCCC(=O)N1CCC(C(=O)NCCc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-2-3-17(22)21-12-9-15(10-13-21)18(23)20-11-8-14-4-6-16(7-5-14)19(24)25/h4-7,15H,2-3,8-13H2,1H3,(H,20,23)(H,24,25)
InChIKeyRUGXBFKFCJNAGE-UHFFFAOYSA-N
XLogP2.08
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
1-butanoyl-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 113004717
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
1-(1-hexanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881318
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-(1-octanoylpiperidin-4-yl)-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881314
4-[2-(piperidine-4-carbonylamino)ethyl]benzoic acid
CID 61161224
3-[[1-(3-phenylpropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177469
N-[2-(4-tert-butylphenyl)ethyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 46442102
4-[2-[(1-propanoylpiperidine-2-carbonyl)amino]ethyl]benzoic acid
CID 119168696
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid (CID 71874985) is 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid is CCCC(=O)N1CCC(C(=O)NCCc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid?
The InChIKey is RUGXBFKFCJNAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-2-3-17(22)21-12-9-15(10-13-21)18(23)20-11-8-14-4-6-16(7-5-14)19(24)25/h4-7,15H,2-3,8-13H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid?
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid has a molecular weight of 346.43 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid is sourced from PubChem (CID 71874985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).