3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C19H26N4O3 — CID 120924733

IUPAC3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNCC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCOCC1
InChIInChI=1S/C19H26N4O3/c20-13-19(7-11-26-12-8-19)17(24)22-9-5-14(6-10-22)23-16-4-2-1-3-15(16)21-18(23)25/h1-4,14H,5-13,20H2,(H,21,25)
InChIKeyPYIQRPDICBJZSS-UHFFFAOYSA-N
MW358.44 g/mol
LogP1.25
Rot. Bonds3

About 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 120924733) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID120924733
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNCC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCOCC1
InChIInChI=1S/C19H26N4O3/c20-13-19(7-11-26-12-8-19)17(24)22-9-5-14(6-10-22)23-16-4-2-1-3-15(16)21-18(23)25/h1-4,14H,5-13,20H2,(H,21,25)
InChIKeyPYIQRPDICBJZSS-UHFFFAOYSA-N
XLogP1.25
TPSA93.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one 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

3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
3-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274805
3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968045
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285
3-[1-(adamantane-1-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245637
3-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrochloride
CID 172968233
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
3-[1-(2-aminopentanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274801
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172967992
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
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 120924733) is 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is NCC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCOCC1.
What is the InChIKey of 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is PYIQRPDICBJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c20-13-19(7-11-26-12-8-19)17(24)22-9-5-14(6-10-22)23-16-4-2-1-3-15(16)21-18(23)25/h1-4,14H,5-13,20H2,(H,21,25).
What are the key properties of 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 358.44 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 120924733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).