4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid

C12H16N4O3 — CID 154500129

IUPAC4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1cnccn1
InChIInChI=1S/C12H16N4O3/c17-11(10-8-13-3-4-14-10)15-7-9-1-5-16(6-2-9)12(18)19/h3-4,8-9H,1-2,5-7H2,(H,15,17)(H,18,19)
InChIKeyNNUSVZJCFVLYQN-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.60
Rot. Bonds3

About 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid

4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid (PubChem CID 154500129) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
PubChem CID154500129
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
SMILESO=C(NCC1CCN(C(=O)O)CC1)c1cnccn1
InChIInChI=1S/C12H16N4O3/c17-11(10-8-13-3-4-14-10)15-7-9-1-5-16(6-2-9)12(18)19/h3-4,8-9H,1-2,5-7H2,(H,15,17)(H,18,19)
InChIKeyNNUSVZJCFVLYQN-UHFFFAOYSA-N
XLogP0.60
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
N-(azetidin-3-ylmethyl)pyrazine-2-carboxamide
CID 127017038
N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
ethyl [4-[4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930118
4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90706752
tert-butyl N-[[1-(pyrazine-2-carbonyl)piperidin-4-yl]methyl]carbamate
CID 71632480
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 91092314
N-[2-(1-methylpiperidin-4-yl)ethyl]pyrazine-2-carboxamide
CID 141475460
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90895817
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
4-[[(2-methylsulfonylpyrimidine-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90775535
N-[[(3S)-1-(2,2,6,6-tetramethylpiperidin-4-yl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 95228903

Frequently Asked Questions

What is the IUPAC name of 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid (CID 154500129) is 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid is O=C(NCC1CCN(C(=O)O)CC1)c1cnccn1.
What is the InChIKey of 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid?
The InChIKey is NNUSVZJCFVLYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c17-11(10-8-13-3-4-14-10)15-7-9-1-5-16(6-2-9)12(18)19/h3-4,8-9H,1-2,5-7H2,(H,15,17)(H,18,19).
What are the key properties of 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid?
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 154500129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).