2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid

C19H30N2O3 — CID 122043103

IUPAC2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCCCOc1cccc(CN2CCC(N(CC)CC(=O)O)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-3-12-24-18-7-5-6-16(13-18)14-20-10-8-17(9-11-20)21(4-2)15-19(22)23/h5-7,13,17H,3-4,8-12,14-15H2,1-2H3,(H,22,23)
InChIKeyQAYXQTLGFJJVQQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.85
Rot. Bonds9

About 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid

2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid (PubChem CID 122043103) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
PubChem CID122043103
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Name2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
SMILESCCCOc1cccc(CN2CCC(N(CC)CC(=O)O)CC2)c1
InChIInChI=1S/C19H30N2O3/c1-3-12-24-18-7-5-6-16(13-18)14-20-10-8-17(9-11-20)21(4-2)15-19(22)23/h5-7,13,17H,3-4,8-12,14-15H2,1-2H3,(H,22,23)
InChIKeyQAYXQTLGFJJVQQ-UHFFFAOYSA-N
XLogP2.85
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122043217
[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]methanol
CID 54794443
2-[methyl-[1-[[3-(3-phenylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122042847
2-[methyl-[1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042919
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
2-[ethyl-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]amino]acetic acid
CID 122043129
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964
2-[ethyl-[1-[[4-(2-methylpropoxy)phenyl]methyl]piperidin-4-yl]amino]acetic acid
CID 122043070
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
1-methyl-4-[(3-propoxyphenyl)methyl]piperazine
CID 70470634
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 43918618
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid (CID 122043103) is 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid is CCCOc1cccc(CN2CCC(N(CC)CC(=O)O)CC2)c1.
What is the InChIKey of 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
The InChIKey is QAYXQTLGFJJVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-3-12-24-18-7-5-6-16(13-18)14-20-10-8-17(9-11-20)21(4-2)15-19(22)23/h5-7,13,17H,3-4,8-12,14-15H2,1-2H3,(H,22,23).
What are the key properties of 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid?
2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid has a molecular weight of 334.46 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[1-[(3-propoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid is sourced from PubChem (CID 122043103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).