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

C19H26N4O2 — CID 172968040

IUPAC3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNCC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCC1
InChIInChI=1S/C19H26N4O2/c20-13-19(9-3-4-10-19)17(24)22-11-7-14(8-12-22)23-16-6-2-1-5-15(16)21-18(23)25/h1-2,5-6,14H,3-4,7-13,20H2,(H,21,25)
InChIKeyOFAYCABVGKMQHE-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.01
Rot. Bonds3

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

3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968040) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968040
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESNCC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCC1
InChIInChI=1S/C19H26N4O2/c20-13-19(9-3-4-10-19)17(24)22-11-7-14(8-12-22)23-16-6-2-1-5-15(16)21-18(23)25/h1-2,5-6,14H,3-4,7-13,20H2,(H,21,25)
InChIKeyOFAYCABVGKMQHE-UHFFFAOYSA-N
XLogP2.01
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[4-(aminomethyl)oxane-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 120924733
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-(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
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
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
N-(cyclopentylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxamide
CID 172967857
3-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968221

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968040) is 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is NCC1(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)CCCC1.
What is the InChIKey of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is OFAYCABVGKMQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c20-13-19(9-3-4-10-19)17(24)22-11-7-14(8-12-22)23-16-6-2-1-5-15(16)21-18(23)25/h1-2,5-6,14H,3-4,7-13,20H2,(H,21,25).
What are the key properties of 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 342.44 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(aminomethyl)cyclopentanecarbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).