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

C17H30N4O3 — CID 139720169

IUPAC2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(N2CCN(C(=O)C3CCNCC3)CC2)CC1
InChIInChI=1S/C17H30N4O3/c22-16(23)13-19-7-3-15(4-8-19)20-9-11-21(12-10-20)17(24)14-1-5-18-6-2-14/h14-15,18H,1-13H2,(H,22,23)
InChIKeyJYSGOMURPFOBPM-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.32
Rot. Bonds4

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

2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid (PubChem CID 139720169) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid
PubChem CID139720169
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(N2CCN(C(=O)C3CCNCC3)CC2)CC1
InChIInChI=1S/C17H30N4O3/c22-16(23)13-19-7-3-15(4-8-19)20-9-11-21(12-10-20)17(24)14-1-5-18-6-2-14/h14-15,18H,1-13H2,(H,22,23)
InChIKeyJYSGOMURPFOBPM-UHFFFAOYSA-N
XLogP-0.32
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid (CID 139720169) is 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(N2CCN(C(=O)C3CCNCC3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid?
The InChIKey is JYSGOMURPFOBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c22-16(23)13-19-7-3-15(4-8-19)20-9-11-21(12-10-20)17(24)14-1-5-18-6-2-14/h14-15,18H,1-13H2,(H,22,23).
What are the key properties of 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid?
2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid has a molecular weight of 338.45 g/mol, XLogP of -0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(piperidine-4-carbonyl)piperazin-1-yl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 139720169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).