2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid

C16H23N5O3 — CID 135092980

IUPAC2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Nc2cncc(C(=O)N3CCCC3)n2)CC1
InChIInChI=1S/C16H23N5O3/c22-15(23)11-20-7-3-12(4-8-20)18-14-10-17-9-13(19-14)16(24)21-5-1-2-6-21/h9-10,12H,1-8,11H2,(H,18,19)(H,22,23)
InChIKeyMLXSCSSSAUNMNT-UHFFFAOYSA-N
MW333.39 g/mol
LogP0.67
Rot. Bonds5

About 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid

2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid (PubChem CID 135092980) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
PubChem CID135092980
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC Name2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC(Nc2cncc(C(=O)N3CCCC3)n2)CC1
InChIInChI=1S/C16H23N5O3/c22-15(23)11-20-7-3-12(4-8-20)18-14-10-17-9-13(19-14)16(24)21-5-1-2-6-21/h9-10,12H,1-8,11H2,(H,18,19)(H,22,23)
InChIKeyMLXSCSSSAUNMNT-UHFFFAOYSA-N
XLogP0.67
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134707525
6-(cycloheptylamino)pyrazine-2-carboxylic acid
CID 66458367
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
2-[4-[(6-chloropyrazin-2-yl)amino]piperidin-1-yl]-N-propylacetamide
CID 60567800
6-chloro-N-[1-(cyclopentylmethyl)piperidin-4-yl]pyrazin-2-amine
CID 47470211
[6-(cyclopropylamino)-2-phenylpyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 112851698
[6-[(3-ethylimidazol-4-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 134710262
(4,4-dimethylpiperidin-1-yl)-[6-(methylamino)pyrazin-2-yl]methanone
CID 114035906
[6-(cyclopentylamino)pyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109341196
[6-[[2-(2-fluorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135093411
[6-[(4-benzyl-1,4-oxazepan-2-yl)methylamino]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135117721

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid (CID 135092980) is 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid is O=C(O)CN1CCC(Nc2cncc(C(=O)N3CCCC3)n2)CC1.
What is the InChIKey of 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid?
The InChIKey is MLXSCSSSAUNMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c22-15(23)11-20-7-3-12(4-8-20)18-14-10-17-9-13(19-14)16(24)21-5-1-2-6-21/h9-10,12H,1-8,11H2,(H,18,19)(H,22,23).
What are the key properties of 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid?
2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid has a molecular weight of 333.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]amino]piperidin-1-yl]acetic acid is sourced from PubChem (CID 135092980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).