4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid

C16H24N4O3 — CID 67997271

IUPAC4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccnc2N2CCC(CO)CC2)CC1
InChIInChI=1S/C16H24N4O3/c21-11-12-1-7-19(8-2-12)15-14(17-5-6-18-15)13-3-9-20(10-4-13)16(22)23/h5-6,12-13,21H,1-4,7-11H2,(H,22,23)
InChIKeyOEMVXAKNRPIWGK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.54
Rot. Bonds3

About 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid

4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid (PubChem CID 67997271) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid
PubChem CID67997271
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(c2nccnc2N2CCC(CO)CC2)CC1
InChIInChI=1S/C16H24N4O3/c21-11-12-1-7-19(8-2-12)15-14(17-5-6-18-15)13-3-9-20(10-4-13)16(22)23/h5-6,12-13,21H,1-4,7-11H2,(H,22,23)
InChIKeyOEMVXAKNRPIWGK-UHFFFAOYSA-N
XLogP1.54
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-fluoropyrazin-2-yl)piperidine-1-carboxylic acid
CID 66986290
4-[3,4-bis(hydroxymethyl)-2-pyridinyl]piperidine-1-carboxylic acid
CID 174789377
[1-(3-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 62254085
2-[4-(hydroxymethyl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 43133367
[1-(3-bromo-4-methyl-2-pyridinyl)piperidin-4-yl]methanol
CID 106876332
4-[4-[[3-carbamoyl-6-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]amino]phenyl]piperidine-1-carboxylic acid
CID 146485007
4-[(2-chloro-3-pyridinyl)sulfanylmethyl]piperidine-1-carboxylic acid
CID 122424400
[1-(7-fluoroisoquinolin-1-yl)piperidin-4-yl]methanol
CID 121417659
4-(1H-imidazol-2-ylsulfanylmethyl)piperidine-1-carboxylic acid
CID 91439730
1-[4-[3-(aminomethyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 175662745
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
4-[3-[[(2S)-oxan-2-yl]oxymethyl]-2-pyridinyl]piperidine-1-carboxylic acid
CID 57256417

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid (CID 67997271) is 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid is O=C(O)N1CCC(c2nccnc2N2CCC(CO)CC2)CC1.
What is the InChIKey of 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid?
The InChIKey is OEMVXAKNRPIWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-11-12-1-7-19(8-2-12)15-14(17-5-6-18-15)13-3-9-20(10-4-13)16(22)23/h5-6,12-13,21H,1-4,7-11H2,(H,22,23).
What are the key properties of 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid?
4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid has a molecular weight of 320.39 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(hydroxymethyl)piperidin-1-yl]pyrazin-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 67997271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).