3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

C19H27N5O2 — CID 172968221

IUPAC3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNC1CCN(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C19H27N5O2/c20-14-5-9-22(10-6-14)13-18(25)23-11-7-15(8-12-23)24-17-4-2-1-3-16(17)21-19(24)26/h1-4,14-15H,5-13,20H2,(H,21,26)
InChIKeyQVAPKAIBOZDAPX-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.92
Rot. Bonds3

About 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968221) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968221
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNC1CCN(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1
InChIInChI=1S/C19H27N5O2/c20-14-5-9-22(10-6-14)13-18(25)23-11-7-15(8-12-23)24-17-4-2-1-3-16(17)21-19(24)26/h1-4,14-15H,5-13,20H2,(H,21,26)
InChIKeyQVAPKAIBOZDAPX-UHFFFAOYSA-N
XLogP0.92
TPSA87.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 46557771
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-[2-[(3R)-3-aminopyrrolidin-1-yl]-2-oxoethyl]-1H-benzimidazol-2-one
CID 119413160
2,2-difluoroethyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 172967860
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274805

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968221) is 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one is NC1CCN(CC(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CC1.
What is the InChIKey of 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QVAPKAIBOZDAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c20-14-5-9-22(10-6-14)13-18(25)23-11-7-15(8-12-23)24-17-4-2-1-3-16(17)21-19(24)26/h1-4,14-15H,5-13,20H2,(H,21,26).
What are the key properties of 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 357.46 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).