4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid

C25H27N5O3 — CID 91438480

IUPAC4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCCOC(c1cccc2cccnc12)n1c(NC2CCN(C(=O)O)CC2)nc2ccccc21
InChIInChI=1S/C25H27N5O3/c1-2-33-23(19-9-5-7-17-8-6-14-26-22(17)19)30-21-11-4-3-10-20(21)28-24(30)27-18-12-15-29(16-13-18)25(31)32/h3-11,14,18,23H,2,12-13,15-16H2,1H3,(H,27,28)(H,31,32)
InChIKeyDGIFERVEZUHVOO-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.72
Rot. Bonds6

About 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid

4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 91438480) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID91438480
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESCCOC(c1cccc2cccnc12)n1c(NC2CCN(C(=O)O)CC2)nc2ccccc21
InChIInChI=1S/C25H27N5O3/c1-2-33-23(19-9-5-7-17-8-6-14-26-22(17)19)30-21-11-4-3-10-20(21)28-24(30)27-18-12-15-29(16-13-18)25(31)32/h3-11,14,18,23H,2,12-13,15-16H2,1H3,(H,27,28)(H,31,32)
InChIKeyDGIFERVEZUHVOO-UHFFFAOYSA-N
XLogP4.72
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1-phenylbenzimidazol-2-yl)amino]piperidine-1-carboxylic acid
CID 151956414
4-[[3-[(2-ethoxy-2-oxoacetyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 175928078
4-[[3-[(2-methyl-1,3-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-yl]amino]piperidine-1-carboxylic acid
CID 139831398
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
CID 22343520
4-[(8-chloroquinolin-2-yl)amino]piperidine-1-carboxylic acid
CID 154249318
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)-(2-phenylmethoxyethoxy)methyl]benzimidazol-2-amine
CID 68821853
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
[4-[(3-ethoxypyrazin-2-yl)amino]piperidin-1-yl]-phenylmethanone
CID 87053000
2,2-diethoxy-1-quinolin-8-ylethanol
CID 81220226
2-cyclopropyl-2-ethoxy-N-methyl-1-quinolin-8-ylethanamine
CID 116723492
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid (CID 91438480) is 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid is CCOC(c1cccc2cccnc12)n1c(NC2CCN(C(=O)O)CC2)nc2ccccc21.
What is the InChIKey of 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is DGIFERVEZUHVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-2-33-23(19-9-5-7-17-8-6-14-26-22(17)19)30-21-11-4-3-10-20(21)28-24(30)27-18-12-15-29(16-13-18)25(31)32/h3-11,14,18,23H,2,12-13,15-16H2,1H3,(H,27,28)(H,31,32).
What are the key properties of 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid?
4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 445.52 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[ethoxy(quinolin-8-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 91438480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).