3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine

C21H31N5 — CID 145424448

IUPAC3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
SMILESCc1cccnc1[C@@H]1CCCC(c2nccn2C2CCN(C)CC2)N1C
InChIInChI=1S/C21H31N5/c1-16-6-5-11-22-20(16)18-7-4-8-19(25(18)3)21-23-12-15-26(21)17-9-13-24(2)14-10-17/h5-6,11-12,15,17-19H,4,7-10,13-14H2,1-3H3/t18-,19?/m0/s1
InChIKeyHJNAXQHZWMLYCI-OYKVQYDMSA-N
MW353.51 g/mol
LogP3.75
Rot. Bonds3

About 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine

3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine (PubChem CID 145424448) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
PubChem CID145424448
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine
SMILESCc1cccnc1[C@@H]1CCCC(c2nccn2C2CCN(C)CC2)N1C
InChIInChI=1S/C21H31N5/c1-16-6-5-11-22-20(16)18-7-4-8-19(25(18)3)21-23-12-15-26(21)17-9-13-24(2)14-10-17/h5-6,11-12,15,17-19H,4,7-10,13-14H2,1-3H3/t18-,19?/m0/s1
InChIKeyHJNAXQHZWMLYCI-OYKVQYDMSA-N
XLogP3.75
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine with MolForge

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Related Compounds

2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-(1-methylpiperidin-4-yl)benzimidazole
CID 145424265
2,6-bis(3-methyl-2-pyridinyl)piperidin-1-amine
CID 67421572
3-methyl-2-[1-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-2-yl]methyl]pyrrolidin-2-yl]pyridine
CID 145424909
(2R,6S,9R)-9-(1-methylpiperidin-4-yl)-6-(3-methyl-2-pyridinyl)-8-oxa-7,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),12,14,16-tetraene
CID 155373921
5-(4-cyclopropylpiperazin-1-yl)-2-[(6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]imidazo[1,2-a]pyridine
CID 155373984
3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-3-pyridinyl]propanamide
CID 155453338
2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-6-(2-pyridin-2-ylethyl)pyridine
CID 162531759
N-[1-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]ethenyl]propan-2-amine
CID 155453409
3-[2,6-bis(3-methyl-2-pyridinyl)piperidin-1-yl]propan-1-ol
CID 170281779
N-methyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424418
N,N-dimethyl-3-[2-[1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424316
N,N-dimethyl-3-[2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]benzimidazol-1-yl]propan-1-amine
CID 145424380

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine?
The IUPAC name of 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine (CID 145424448) is 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine is Cc1cccnc1[C@@H]1CCCC(c2nccn2C2CCN(C)CC2)N1C.
What is the InChIKey of 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine?
The InChIKey is HJNAXQHZWMLYCI-OYKVQYDMSA-N. The full InChI is InChI=1S/C21H31N5/c1-16-6-5-11-22-20(16)18-7-4-8-19(25(18)3)21-23-12-15-26(21)17-9-13-24(2)14-10-17/h5-6,11-12,15,17-19H,4,7-10,13-14H2,1-3H3/t18-,19?/m0/s1.
What are the key properties of 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine?
3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine has a molecular weight of 353.51 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2S)-1-methyl-6-[1-(1-methylpiperidin-4-yl)imidazol-2-yl]piperidin-2-yl]pyridine is sourced from PubChem (CID 145424448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).