4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid

C12H18N4O3 — CID 91092314

IUPAC4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCn1cncc1C(=O)NCC1CCN(C(=O)O)CC1
InChIInChI=1S/C12H18N4O3/c1-15-8-13-7-10(15)11(17)14-6-9-2-4-16(5-3-9)12(18)19/h7-9H,2-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyWUNVYRFFCNRPDN-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.54
Rot. Bonds3

About 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid

4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 91092314) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID91092314
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid
SMILESCn1cncc1C(=O)NCC1CCN(C(=O)O)CC1
InChIInChI=1S/C12H18N4O3/c1-15-8-13-7-10(15)11(17)14-6-9-2-4-16(5-3-9)12(18)19/h7-9H,2-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyWUNVYRFFCNRPDN-UHFFFAOYSA-N
XLogP0.54
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]methyl]-3-methylimidazole-4-carboxamide
CID 131949189
4-[(pyrazine-2-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 154500129
4-[(1,3-oxazole-5-carbonylamino)methyl]piperidine-1-carboxylic acid
CID 90706752
benzyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate;3-methyl-N-[[1-(2-phenylethylsulfonyl)piperidin-4-yl]methyl]imidazole-4-carboxamide;(4-methylphenyl)methyl 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylate
CID 157279730
4-[[(2-amino-1,3-thiazole-5-carbonyl)amino]methyl]piperidine-1-carboxylic acid
CID 90895817
3-methyl-N-propylimidazole-4-carboxamide
CID 23552392
N-[3-(cyclopropylamino)propyl]-3-methylimidazole-4-carboxamide
CID 103511511
N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]-3-methylimidazole-4-carboxamide
CID 131923823
3-methyl-N-[[1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 131899226
4-[[[4-(2-hydroxypropan-2-yl)benzoyl]amino]methyl]piperidine-1-carboxylic acid
CID 90981749
2,2-dimethyl-3-[(3-methylimidazole-4-carbonyl)amino]propanoic acid
CID 103510668
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-methylimidazole-4-carboxamide
CID 125445492

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid (CID 91092314) is 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid is Cn1cncc1C(=O)NCC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is WUNVYRFFCNRPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-15-8-13-7-10(15)11(17)14-6-9-2-4-16(5-3-9)12(18)19/h7-9H,2-6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylimidazole-4-carbonyl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91092314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).