[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone

C23H28N4O — CID 154569313

IUPAC[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1c(C(=O)N2CCCCC2c2ccc(CN(C)C)cc2)nc2ccccn12
InChIInChI=1S/C23H28N4O/c1-17-22(24-21-9-5-7-14-26(17)21)23(28)27-15-6-4-8-20(27)19-12-10-18(11-13-19)16-25(2)3/h5,7,9-14,20H,4,6,8,15-16H2,1-3H3
InChIKeyKVQSUIWPBISSEQ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.07
Rot. Bonds4

About [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 154569313) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID154569313
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCc1c(C(=O)N2CCCCC2c2ccc(CN(C)C)cc2)nc2ccccn12
InChIInChI=1S/C23H28N4O/c1-17-22(24-21-9-5-7-14-26(17)21)23(28)27-15-6-4-8-20(27)19-12-10-18(11-13-19)16-25(2)3/h5,7,9-14,20H,4,6,8,15-16H2,1-3H3
InChIKeyKVQSUIWPBISSEQ-UHFFFAOYSA-N
XLogP4.07
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 118763717
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 56873767
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 70761404
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 126436777
[(2S)-2-(4-methylphenyl)piperidin-1-yl]-(3-methylsulfonylimidazo[1,5-a]pyridin-1-yl)methanone
CID 96508515

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 154569313) is [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone is Cc1c(C(=O)N2CCCCC2c2ccc(CN(C)C)cc2)nc2ccccn12.
What is the InChIKey of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is KVQSUIWPBISSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-17-22(24-21-9-5-7-14-26(17)21)23(28)27-15-6-4-8-20(27)19-12-10-18(11-13-19)16-25(2)3/h5,7,9-14,20H,4,6,8,15-16H2,1-3H3.
What are the key properties of [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 376.50 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(3-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 154569313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).