4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid

C20H25N5O4 — CID 146264259

IUPAC4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid
SMILESCC(NC(=O)C1CC1c1nc2ccccc2[nH]1)C(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H25N5O4/c1-11(18(26)22-12-6-8-25(9-7-12)20(28)29)21-19(27)14-10-13(14)17-23-15-4-2-3-5-16(15)24-17/h2-5,11-14H,6-10H2,1H3,(H,21,27)(H,22,26)(H,23,24)(H,28,29)
InChIKeyLXQIGSKKJVWWHC-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.43
Rot. Bonds5

About 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid

4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid (PubChem CID 146264259) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid
PubChem CID146264259
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid
SMILESCC(NC(=O)C1CC1c1nc2ccccc2[nH]1)C(=O)NC1CCN(C(=O)O)CC1
InChIInChI=1S/C20H25N5O4/c1-11(18(26)22-12-6-8-25(9-7-12)20(28)29)21-19(27)14-10-13(14)17-23-15-4-2-3-5-16(15)24-17/h2-5,11-14H,6-10H2,1H3,(H,21,27)(H,22,26)(H,23,24)(H,28,29)
InChIKeyLXQIGSKKJVWWHC-UHFFFAOYSA-N
XLogP1.43
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

(2R)-2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoic acid
CID 146264225
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-oxo-1-(4-propan-2-yloxyanilino)propan-2-yl]cyclopropane-1-carboxamide
CID 151009764
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(2R)-1-[(5-bromopyrazin-2-yl)amino]-1-oxopropan-2-yl]cyclopropane-1-carboxamide
CID 150401895
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-quinolin-2-ylethyl)cyclopropane-1-carboxamide
CID 135377878
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 164964194
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(3R)-1-(4-fluoro-3-methylphenyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 167587677
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[1-[5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377370
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(R)-cyclohexyl-(5-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 158755686
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(morpholine-4-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 135377406
2-(1H-benzimidazol-2-yl)-N-[(1R)-1-[5-(4,4-difluoropiperidine-1-carbonyl)thiophen-2-yl]ethyl]cyclopropane-1-carboxamide
CID 138455687
trans-(1S,2S)-2-(1H-benzimidazol-2-yl)-N-(1-furo[3,2-b]pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 130245599
N-[1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-2,2-diphenylacetamide
CID 45370047

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid (CID 146264259) is 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid is CC(NC(=O)C1CC1c1nc2ccccc2[nH]1)C(=O)NC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid?
The InChIKey is LXQIGSKKJVWWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-11(18(26)22-12-6-8-25(9-7-12)20(28)29)21-19(27)14-10-13(14)17-23-15-4-2-3-5-16(15)24-17/h2-5,11-14H,6-10H2,1H3,(H,21,27)(H,22,26)(H,23,24)(H,28,29).
What are the key properties of 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid?
4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(1H-benzimidazol-2-yl)cyclopropanecarbonyl]amino]propanoylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 146264259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).