[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

C18H25N5O — CID 70731123

IUPAC[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCN(C)c1ccc(CN2CCCC(C(=O)c3nccn3C)C2)cn1
InChIInChI=1S/C18H25N5O/c1-21(2)16-7-6-14(11-20-16)12-23-9-4-5-15(13-23)17(24)18-19-8-10-22(18)3/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3
InChIKeyVPWRAYWPNSUHGZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.98
Rot. Bonds5

About [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone

[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 70731123) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID70731123
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
SMILESCN(C)c1ccc(CN2CCCC(C(=O)c3nccn3C)C2)cn1
InChIInChI=1S/C18H25N5O/c1-21(2)16-7-6-14(11-20-16)12-23-9-4-5-15(13-23)17(24)18-19-8-10-22(18)3/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3
InChIKeyVPWRAYWPNSUHGZ-UHFFFAOYSA-N
XLogP1.98
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone with MolForge

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Related Compounds

(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
(1-methylimidazol-2-yl)-[1-[(1-propylimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 70740554
[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70750788
[1-[[6-[ethyl(methyl)amino]-3-pyridinyl]methyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 120836162
(1-methylimidazol-2-yl)-[(3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methanone
CID 42147518
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
methyl 1-[[6-(dimethylamino)-3-pyridinyl]methyl]azetidine-3-carboxylate
CID 155956657
6-methyl-3-[[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 95190113
6-methyl-3-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-2-one
CID 56702126
5-[[(1R,5R)-3-azabicyclo[3.3.1]nonan-3-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77088674
6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72906962
(1-methylimidazol-2-yl)-[(3S)-1-[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]methanone
CID 96578185

Frequently Asked Questions

What is the IUPAC name of [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone (CID 70731123) is [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is CN(C)c1ccc(CN2CCCC(C(=O)c3nccn3C)C2)cn1.
What is the InChIKey of [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is VPWRAYWPNSUHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-21(2)16-7-6-14(11-20-16)12-23-9-4-5-15(13-23)17(24)18-19-8-10-22(18)3/h6-8,10-11,15H,4-5,9,12-13H2,1-3H3.
What are the key properties of [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone?
[1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 70731123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).