1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C20H29N5O — CID 72839228

IUPAC1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCN(C)CCn1ccnc1C1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C20H29N5O/c1-23(2)13-14-24-12-10-22-20(24)18-6-4-11-25(16-18)19(26)8-7-17-5-3-9-21-15-17/h3,5,9-10,12,15,18H,4,6-8,11,13-14,16H2,1-2H3
InChIKeyBOIJZPPHUSXABZ-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.18
Rot. Bonds7

About 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 72839228) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID72839228
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCN(C)CCn1ccnc1C1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C20H29N5O/c1-23(2)13-14-24-12-10-22-20(24)18-6-4-11-25(16-18)19(26)8-7-17-5-3-9-21-15-17/h3,5,9-10,12,15,18H,4,6-8,11,13-14,16H2,1-2H3
InChIKeyBOIJZPPHUSXABZ-UHFFFAOYSA-N
XLogP2.18
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 97275304
1-[(3S)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 96574284
1-[3-(1-benzylimidazol-2-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70728894
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72922900
1-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72903624
(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 97202915
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70735998
3-pyrazol-1-yl-1-[3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72915772
1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 97187760
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[(3S)-3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 97188321

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 72839228) is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is CN(C)CCn1ccnc1C1CCCN(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is BOIJZPPHUSXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-23(2)13-14-24-12-10-22-20(24)18-6-4-11-25(16-18)19(26)8-7-17-5-3-9-21-15-17/h3,5,9-10,12,15,18H,4,6-8,11,13-14,16H2,1-2H3.
What are the key properties of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 355.49 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 72839228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).