3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

C20H28N4O2 — CID 172968045

IUPAC3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1CCCC(N)(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C20H28N4O2/c1-14-5-4-10-20(21,13-14)18(25)23-11-8-15(9-12-23)24-17-7-3-2-6-16(17)22-19(24)26/h2-3,6-7,14-15H,4-5,8-13,21H2,1H3,(H,22,26)
InChIKeyQYLODMIVNCCBEF-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.40
Rot. Bonds2

About 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968045) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968045
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC1CCCC(N)(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C20H28N4O2/c1-14-5-4-10-20(21,13-14)18(25)23-11-8-15(9-12-23)24-17-7-3-2-6-16(17)22-19(24)26/h2-3,6-7,14-15H,4-5,8-13,21H2,1H3,(H,22,26)
InChIKeyQYLODMIVNCCBEF-UHFFFAOYSA-N
XLogP2.40
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[1-(1-amino-3-methylcyclohexanecarbonyl)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-aminocyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 119274805
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
3-[1-(adamantane-1-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245637
N-(2,2-dimethylcyclopentyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967834
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
methyl 3-oxo-3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propanoate
CID 134069333
3-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51246913
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
CID 91445374
CID 91445374
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[2-(aminomethyl)-2-ethylbutanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172967992

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968045) is 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is CC1CCCC(N)(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.
What is the InChIKey of 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QYLODMIVNCCBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14-5-4-10-20(21,13-14)18(25)23-11-8-15(9-12-23)24-17-7-3-2-6-16(17)22-19(24)26/h2-3,6-7,14-15H,4-5,8-13,21H2,1H3,(H,22,26).
What are the key properties of 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-amino-3-methylcyclohexanecarbonyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).