(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone

C13H16N4O — CID 61296468

IUPAC(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
SMILESNC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C13H16N4O/c14-10-2-1-5-17(7-10)13(18)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,8,10H,1-2,5,7,14H2,(H,15,16)
InChIKeyFMLZMSGHCIZLBV-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.13
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone

(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone (PubChem CID 61296468) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
PubChem CID61296468
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
SMILESNC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1
InChIInChI=1S/C13H16N4O/c14-10-2-1-5-17(7-10)13(18)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,8,10H,1-2,5,7,14H2,(H,15,16)
InChIKeyFMLZMSGHCIZLBV-UHFFFAOYSA-N
XLogP1.13
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(azepan-1-ylmethyl)piperidin-1-yl]-(3H-benzimidazol-5-yl)methanone
CID 95339891
3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
3H-benzimidazol-5-yl-[(3R)-3-(4-fluorophenyl)azepan-1-yl]methanone
CID 99873270
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
(3S)-1-[3-(3H-benzimidazol-5-yl)benzoyl]piperidine-3-carboxamide
CID 126448856
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 63605111
3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113275
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
3H-benzimidazol-5-yl-[3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 127246151
3H-benzimidazol-5-yl-(4,4-dimethylazepan-1-yl)methanone
CID 65282069

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone?
The IUPAC name of (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone (CID 61296468) is (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone is NC1CCCN(C(=O)c2ccc3nc[nH]c3c2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone?
The InChIKey is FMLZMSGHCIZLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-10-2-1-5-17(7-10)13(18)9-3-4-11-12(6-9)16-8-15-11/h3-4,6,8,10H,1-2,5,7,14H2,(H,15,16).
What are the key properties of (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone?
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone has a molecular weight of 244.30 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 61296468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).