2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid

C15H20N4O2 — CID 106814248

IUPAC2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H20N4O2/c20-14(21)9-16-8-11-4-3-7-19(10-11)15-17-12-5-1-2-6-13(12)18-15/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)(H,20,21)
InChIKeyKIJNMQQKJRRZTL-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.45
Rot. Bonds5

About 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814248) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814248
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
SMILESO=C(O)CNCC1CCCN(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C15H20N4O2/c20-14(21)9-16-8-11-4-3-7-19(10-11)15-17-12-5-1-2-6-13(12)18-15/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)(H,20,21)
InChIKeyKIJNMQQKJRRZTL-UHFFFAOYSA-N
XLogP1.45
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(1H-benzimidazol-2-yl)piperidin-3-yl]propanamide
CID 133410055
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 92716106
2-[3-(triazol-1-ylmethyl)piperidin-1-yl]-1H-benzimidazole
CID 133411160
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972
(3S)-1-(1H-benzimidazol-2-yl)-N-propylpiperidine-3-carboxamide
CID 92716066
(3R)-1-(1H-benzimidazol-2-yl)-N-[(4-ethylphenyl)methyl]piperidine-3-carboxamide
CID 92876810
tert-butyl N-[[1-(4-oxo-3H-quinazolin-2-yl)piperidin-3-yl]methyl]carbamate
CID 137268454
2-[(3S)-1-(1H-benzimidazol-2-yl)piperidin-3-yl]oxyethanol
CID 99776526
(3S)-1-(1H-benzimidazol-2-yl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92876805
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734
3-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]amino]-2,2-dimethyl-3-oxopropanoic acid;2,2,2-trifluoroacetic acid
CID 167822464

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid (CID 106814248) is 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid is O=C(O)CNCC1CCCN(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is KIJNMQQKJRRZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-14(21)9-16-8-11-4-3-7-19(10-11)15-17-12-5-1-2-6-13(12)18-15/h1-2,5-6,11,16H,3-4,7-10H2,(H,17,18)(H,20,21).
What are the key properties of 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 288.35 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).