2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid

C16H30N4O4 — CID 67801304

IUPAC2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid
SMILESO=C(O)CNCCNC(=O)N1CCC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H30N4O4/c21-15(22)11-18-7-8-19-16(23)20-9-3-14(4-10-20)24-12-13-1-5-17-6-2-13/h13-14,17-18H,1-12H2,(H,19,23)(H,21,22)
InChIKeyMPAXHVWENUKPNT-UHFFFAOYSA-N
MW342.44 g/mol
LogP-0.15
Rot. Bonds8

About 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid

2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid (PubChem CID 67801304) has the molecular formula C16H30N4O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid
PubChem CID67801304
Molecular FormulaC16H30N4O4
Molecular Weight342.44 g/mol
Exact Mass342.23
IUPAC Name2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid
SMILESO=C(O)CNCCNC(=O)N1CCC(OCC2CCNCC2)CC1
InChIInChI=1S/C16H30N4O4/c21-15(22)11-18-7-8-19-16(23)20-9-3-14(4-10-20)24-12-13-1-5-17-6-2-13/h13-14,17-18H,1-12H2,(H,19,23)(H,21,22)
InChIKeyMPAXHVWENUKPNT-UHFFFAOYSA-N
XLogP-0.15
TPSA102.93 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2-Amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
CID 67800576
Ethyl 2-[(2-hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;hydrochloride
CID 67800590
Tert-butyl 4-[[1-[2-[(2-ethoxy-2-oxoethyl)amino]ethylcarbamoyl]piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 67800592
2-[Carboxymethyl-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
CID 67800607
Tert-butyl 4-[[1-[2-[(2-amino-2-oxoethyl)-(2-ethoxy-2-oxoethyl)amino]ethylcarbamoyl]piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 67801760
Tert-butyl 4-[[1-[2-[(2-ethoxy-2-oxoethyl)-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylcarbamoyl]piperidin-4-yl]oxymethyl]piperidine-1-carboxylate
CID 67801909
Ethyl 2-[(2-amino-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetate;dihydrochloride
CID 67802750
2-[(2-Hydroxyacetyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid
CID 67802851
2-[(2-Ethoxy-2-oxoethyl)-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethyl]amino]acetic acid;dihydrochloride
CID 67802987
Ethyl 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetate;dihydrochloride
CID 67803021
4-[[4-(Piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid;hydrochloride
CID 139662174
4-[[4-(Piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 139662175

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid (CID 67801304) is 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid is O=C(O)CNCCNC(=O)N1CCC(OCC2CCNCC2)CC1.
What is the InChIKey of 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid?
The InChIKey is MPAXHVWENUKPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4/c21-15(22)11-18-7-8-19-16(23)20-9-3-14(4-10-20)24-12-13-1-5-17-6-2-13/h13-14,17-18H,1-12H2,(H,19,23)(H,21,22).
What are the key properties of 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid?
2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid has a molecular weight of 342.44 g/mol, XLogP of -0.15, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(piperidin-4-ylmethoxy)piperidine-1-carbonyl]amino]ethylamino]acetic acid is sourced from PubChem (CID 67801304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).