2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid

C17H27N5O3 — CID 18969520

IUPAC2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2cn(CCC3CCNCC3)cn2)CC1
InChIInChI=1S/C17H27N5O3/c23-16(24)12-20-7-9-22(10-8-20)17(25)15-11-21(13-19-15)6-3-14-1-4-18-5-2-14/h11,13-14,18H,1-10,12H2,(H,23,24)
InChIKeyFPCBCEFYYQXOEM-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.12
Rot. Bonds6

About 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid

2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid (PubChem CID 18969520) has the molecular formula C17H27N5O3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid
PubChem CID18969520
Molecular FormulaC17H27N5O3
Molecular Weight349.44 g/mol
Exact Mass349.21
IUPAC Name2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)c2cn(CCC3CCNCC3)cn2)CC1
InChIInChI=1S/C17H27N5O3/c23-16(24)12-20-7-9-22(10-8-20)17(25)15-11-21(13-19-15)6-3-14-1-4-18-5-2-14/h11,13-14,18H,1-10,12H2,(H,23,24)
InChIKeyFPCBCEFYYQXOEM-UHFFFAOYSA-N
XLogP0.12
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid (CID 18969520) is 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)c2cn(CCC3CCNCC3)cn2)CC1.
What is the InChIKey of 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid?
The InChIKey is FPCBCEFYYQXOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3/c23-16(24)12-20-7-9-22(10-8-20)17(25)15-11-21(13-19-15)6-3-14-1-4-18-5-2-14/h11,13-14,18H,1-10,12H2,(H,23,24).
What are the key properties of 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid?
2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid has a molecular weight of 349.44 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-piperidin-4-ylethyl)imidazole-4-carbonyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 18969520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).