3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid

C18H26N4O3 — CID 124701658

IUPAC3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C18H26N4O3/c23-17(24)4-3-14-2-1-9-22(13-14)18(25)15-5-10-21(11-6-15)16-12-19-7-8-20-16/h7-8,12,14-15H,1-6,9-11,13H2,(H,23,24)/t14-/m1/s1
InChIKeyKYICLVMODQQUDR-CQSZACIVSA-N
MW346.43 g/mol
LogP1.80
Rot. Bonds5

About 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid

3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid (PubChem CID 124701658) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
PubChem CID124701658
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)C2CCN(c3cnccn3)CC2)C1
InChIInChI=1S/C18H26N4O3/c23-17(24)4-3-14-2-1-9-22(13-14)18(25)15-5-10-21(11-6-15)16-12-19-7-8-20-16/h7-8,12,14-15H,1-6,9-11,13H2,(H,23,24)/t14-/m1/s1
InChIKeyKYICLVMODQQUDR-CQSZACIVSA-N
XLogP1.80
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
(2-ethylmorpholin-4-yl)-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 146086784
3-[1-(3-hydroxypyridine-4-carbonyl)piperidin-3-yl]propanoic acid
CID 81445617
3-cyclopentyl-N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]propanamide
CID 121109042
ethyl (3S)-3-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 32647962
3-[1-(6-oxopiperidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83193168
2-[methyl-(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]acetic acid
CID 119346169
[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-cyclopentylmethanone
CID 95042945
3-[(3S)-1-[3-(pyrazin-2-ylamino)benzoyl]piperidin-3-yl]propanoic acid
CID 124700883
4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
CID 64890679
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
3-[1-(1,2,4-triazin-3-ylcarbamoyl)piperidin-3-yl]propanoic acid
CID 114388651

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid (CID 124701658) is 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)C2CCN(c3cnccn3)CC2)C1.
What is the InChIKey of 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
The InChIKey is KYICLVMODQQUDR-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(24)4-3-14-2-1-9-22(13-14)18(25)15-5-10-21(11-6-15)16-12-19-7-8-20-16/h7-8,12,14-15H,1-6,9-11,13H2,(H,23,24)/t14-/m1/s1.
What are the key properties of 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid?
3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid has a molecular weight of 346.43 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-1-(1-pyrazin-2-ylpiperidine-4-carbonyl)piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124701658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).