[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid

C23H28N6O4 — CID 22343520

IUPAC[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
SMILESCOC(=O)C(CN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)NC(=O)O
InChIInChI=1S/C23H28N6O4/c1-33-21(30)19(27-23(31)32)15-28-12-9-16(10-13-28)25-22-26-18-7-2-3-8-20(18)29(22)14-17-6-4-5-11-24-17/h2-8,11,16,19,27H,9-10,12-15H2,1H3,(H,25,26)(H,31,32)
InChIKeyBYVGSGRWYMMBGC-UHFFFAOYSA-N
MW452.52 g/mol
LogP2.17
Rot. Bonds8

About [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid

[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid (PubChem CID 22343520) has the molecular formula C23H28N6O4 and a molecular weight of 452.52 g/mol. Its IUPAC name is [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
PubChem CID22343520
Molecular FormulaC23H28N6O4
Molecular Weight452.52 g/mol
Exact Mass452.22
IUPAC Name[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid
SMILESCOC(=O)C(CN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)NC(=O)O
InChIInChI=1S/C23H28N6O4/c1-33-21(30)19(27-23(31)32)15-28-12-9-16(10-13-28)25-22-26-18-7-2-3-8-20(18)29(22)14-17-6-4-5-11-24-17/h2-8,11,16,19,27H,9-10,12-15H2,1H3,(H,25,26)(H,31,32)
InChIKeyBYVGSGRWYMMBGC-UHFFFAOYSA-N
XLogP2.17
TPSA121.61 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

1-(pyridin-2-ylmethyl)-N-[1-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidin-3-yl]benzimidazol-2-amine
CID 15037489
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine
CID 511008
[3-(3,4-dimethoxyphenyl)-3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 54233020
N-[2-(1,3-benzodioxol-5-yl)-4-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]butyl]-N-methylbenzamide
CID 70110785
3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]chromen-2-one;dihydrochloride
CID 87206262
N-[1-(2-aminoethyl)piperidin-4-yl]-1-[(2-methyl-1,3-oxazol-4-yl)methyl]benzimidazol-2-amine
CID 22343536
N-[1-(2-amino-3-methylbutyl)piperidin-4-yl]-1-[(3-ethoxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-amine;hydrate
CID 139939824
ethyl N-[2-[3-[[1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-yl]amino]pyrrolidin-1-yl]ethyl]carbamate
CID 54560820
bis(2-[4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]azepan-1-yl]ethanol);oxalic acid
CID 67895703
N-[1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-yl]-1-(1,3-thiazol-4-ylmethyl)benzimidazol-2-amine;oxalic acid
CID 67895676
bis(ethyl 4-[[1-[(5-methylfuran-2-yl)methyl]benzimidazol-2-yl]amino]piperidine-1-carboxylate);hydrate
CID 70358450
2-[4-[[1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethylurea
CID 156649814

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid?
The IUPAC name of [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid (CID 22343520) is [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid.
What is the SMILES notation for [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid?
The canonical SMILES for [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid is COC(=O)C(CN1CCC(Nc2nc3ccccc3n2Cc2ccccn2)CC1)NC(=O)O.
What is the InChIKey of [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid?
The InChIKey is BYVGSGRWYMMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O4/c1-33-21(30)19(27-23(31)32)15-28-12-9-16(10-13-28)25-22-26-18-7-2-3-8-20(18)29(22)14-17-6-4-5-11-24-17/h2-8,11,16,19,27H,9-10,12-15H2,1H3,(H,25,26)(H,31,32).
What are the key properties of [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid?
[1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid has a molecular weight of 452.52 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-1-oxo-3-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]propan-2-yl]carbamic acid is sourced from PubChem (CID 22343520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).