[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone

C23H28N6O — CID 67271869

IUPAC[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone
SMILESCc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C23H28N6O/c1-18-5-3-9-25-21(18)15-29(16-22-19(2)6-4-10-26-22)20-7-12-27(13-8-20)23(30)28-14-11-24-17-28/h3-6,9-11,14,17,20H,7-8,12-13,15-16H2,1-2H3
InChIKeyUSDDFITXGLITQI-UHFFFAOYSA-N
MW404.52 g/mol
LogP3.42
Rot. Bonds5

About [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone

[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone (PubChem CID 67271869) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone
PubChem CID67271869
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone
SMILESCc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)n2ccnc2)CC1
InChIInChI=1S/C23H28N6O/c1-18-5-3-9-25-21(18)15-29(16-22-19(2)6-4-10-26-22)20-7-12-27(13-8-20)23(30)28-14-11-24-17-28/h3-6,9-11,14,17,20H,7-8,12-13,15-16H2,1-2H3
InChIKeyUSDDFITXGLITQI-UHFFFAOYSA-N
XLogP3.42
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carbohydrazide
CID 58997019
[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-isoquinolin-3-ylmethanone
CID 58997033
N-(1H-benzimidazol-2-yl)-4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidine-1-carboxamide
CID 58996943
2-[(3-methyl-2-pyridinyl)methyl-piperidin-4-ylamino]acetamide
CID 112650951
tert-butyl 4-[[bis[(3-methyl-2-pyridinyl)methyl]amino]methyl]piperidine-1-carboxylate
CID 67271625
4-[(5-chloro-3-methyl-2-pyridinyl)methyl-[(3-propan-2-yl-2-pyridinyl)methyl]amino]piperidine-1-carboxylic acid
CID 69294815
N-[(3-methyl-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 112650950
[2-(hydroxymethyl)-3-pyridinyl]-imidazol-1-ylmethanone
CID 147710275
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
imidazol-1-yl-(2-methyl-3-pyridinyl)methanone
CID 66563654
[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-imidazol-1-ylmethanone
CID 81267870
ethyl 4-[4-[4-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 118758178

Frequently Asked Questions

What is the IUPAC name of [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone?
The IUPAC name of [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone (CID 67271869) is [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone is Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)n2ccnc2)CC1.
What is the InChIKey of [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone?
The InChIKey is USDDFITXGLITQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-18-5-3-9-25-21(18)15-29(16-22-19(2)6-4-10-26-22)20-7-12-27(13-8-20)23(30)28-14-11-24-17-28/h3-6,9-11,14,17,20H,7-8,12-13,15-16H2,1-2H3.
What are the key properties of [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone?
[4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone has a molecular weight of 404.52 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis[(3-methyl-2-pyridinyl)methyl]amino]piperidin-1-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 67271869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).