(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

C14H18N4O — CID 83733082

IUPAC(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C14H18N4O/c1-17-9-16-12-7-10(4-5-13(12)17)14(19)18-6-2-3-11(15)8-18/h4-5,7,9,11H,2-3,6,8,15H2,1H3
InChIKeyCHXLTNBXEAQXSV-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.14
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone

(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (PubChem CID 83733082) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
PubChem CID83733082
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
SMILESCn1cnc2cc(C(=O)N3CCCC(N)C3)ccc21
InChIInChI=1S/C14H18N4O/c1-17-9-16-12-7-10(4-5-13(12)17)14(19)18-6-2-3-11(15)8-18/h4-5,7,9,11H,2-3,6,8,15H2,1H3
InChIKeyCHXLTNBXEAQXSV-UHFFFAOYSA-N
XLogP1.14
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-methylbenzimidazole-5-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 118789278
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
(3-aminopiperidin-1-yl)-(2-methyl-4-pyridinyl)methanone
CID 106752260
cyclopentyl-[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110801662
[3-(aminomethyl)piperidin-1-yl]-(1-propan-2-ylbenzimidazol-5-yl)methanone
CID 75469363
4-[5-[(3S)-3-aminopyrrolidine-1-carbonyl]-2-(1-methylbenzimidazol-5-yl)phenyl]-2-fluorobenzonitrile
CID 135339815
(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
N,N-dimethyl-2-[1-(1-methylbenzimidazole-5-carbonyl)piperidin-4-yl]acetamide
CID 92633830
[4-(1-methylbenzimidazole-5-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110801207
2-[(3S)-1-(1-ethylbenzimidazole-5-carbonyl)piperidin-3-yl]acetic acid
CID 124985657
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
(4-ethylpiperazin-1-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 110692570

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone (CID 83733082) is (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is Cn1cnc2cc(C(=O)N3CCCC(N)C3)ccc21.
What is the InChIKey of (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
The InChIKey is CHXLTNBXEAQXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-9-16-12-7-10(4-5-13(12)17)14(19)18-6-2-3-11(15)8-18/h4-5,7,9,11H,2-3,6,8,15H2,1H3.
What are the key properties of (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone?
(3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(1-methylbenzimidazol-5-yl)methanone is sourced from PubChem (CID 83733082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).