4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde

C20H27N5O2 — CID 125113468

IUPAC4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCn1c(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)nc2ccccc21
InChIInChI=1S/C20H27N5O2/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-8-6-16(7-9-23)20(27)25-12-10-24(15-26)11-13-25/h2-5,15-16H,6-14H2,1H3
InChIKeyHAKBVBBZRFYGOR-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.09
Rot. Bonds4

About 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde

4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 125113468) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID125113468
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
SMILESCn1c(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)nc2ccccc21
InChIInChI=1S/C20H27N5O2/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-8-6-16(7-9-23)20(27)25-12-10-24(15-26)11-13-25/h2-5,15-16H,6-14H2,1H3
InChIKeyHAKBVBBZRFYGOR-UHFFFAOYSA-N
XLogP1.09
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 124814185
[(3R)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 124813623
1-[(1-methylbenzimidazol-2-yl)methyl]-N-pyridin-4-ylpiperidine-4-carboxamide
CID 124814493
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124805714
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
[4-(4-chlorophenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124803223
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
(4-benzylpiperazin-1-yl)-[1-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]piperidin-4-yl]methanone
CID 124797684
[4-(2-methylphenyl)piperazin-1-yl]-[1-[(1-propan-2-ylbenzimidazol-2-yl)methyl]piperidin-4-yl]methanone
CID 124814232
4-[1-[(4-chlorophenyl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 45018644
[1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 124791723
[4-(3,4-dimethylphenyl)piperazin-1-yl]-[(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124915363

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde (CID 125113468) is 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde is Cn1c(CN2CCC(C(=O)N3CCN(C=O)CC3)CC2)nc2ccccc21.
What is the InChIKey of 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is HAKBVBBZRFYGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-22-18-5-3-2-4-17(18)21-19(22)14-23-8-6-16(7-9-23)20(27)25-12-10-24(15-26)11-13-25/h2-5,15-16H,6-14H2,1H3.
What are the key properties of 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde?
4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 369.47 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 125113468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).