3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C20H30N4O — CID 172968406

IUPAC3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNCC1CCCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C20H30N4O/c21-13-15-4-3-5-16(12-15)14-23-10-8-17(9-11-23)24-19-7-2-1-6-18(19)22-20(24)25/h1-2,6-7,15-17H,3-5,8-14,21H2,(H,22,25)
InChIKeyAYMFXTCDHQTIBC-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.73
Rot. Bonds4

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

3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968406) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968406
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNCC1CCCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1
InChIInChI=1S/C20H30N4O/c21-13-15-4-3-5-16(12-15)14-23-10-8-17(9-11-23)24-19-7-2-1-6-18(19)22-20(24)25/h1-2,6-7,15-17H,3-5,8-14,21H2,(H,22,25)
InChIKeyAYMFXTCDHQTIBC-UHFFFAOYSA-N
XLogP2.73
TPSA67.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-(4-aminocyclohexyl)-1H-benzimidazol-2-one
CID 23092402
3-[1-[(5-methyloxolan-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968436
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221
1-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]cyclopropane-1-carbonitrile
CID 172967768
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968040
3-[1-[2-(oxolan-3-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968472

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968406) is 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is NCC1CCCC(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1.
What is the InChIKey of 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AYMFXTCDHQTIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c21-13-15-4-3-5-16(12-15)14-23-10-8-17(9-11-23)24-19-7-2-1-6-18(19)22-20(24)25/h1-2,6-7,15-17H,3-5,8-14,21H2,(H,22,25).
What are the key properties of 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 342.49 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-(aminomethyl)cyclohexyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).