(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one

C21H28N4O2 — CID 97434224

IUPAC(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2nc3c([nH]2)CN([C@@H](C)C(=O)N2CCCCC2)CC3)cc1
InChIInChI=1S/C21H28N4O2/c1-15(21(26)24-11-4-3-5-12-24)25-13-10-18-19(14-25)23-20(22-18)16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyTWSKOUMGNPYUPX-HNNXBMFYSA-N
MW368.48 g/mol
LogP2.84
Rot. Bonds4

About (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one

(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 97434224) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID97434224
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-c2nc3c([nH]2)CN([C@@H](C)C(=O)N2CCCCC2)CC3)cc1
InChIInChI=1S/C21H28N4O2/c1-15(21(26)24-11-4-3-5-12-24)25-13-10-18-19(14-25)23-20(22-18)16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,23)/t15-/m0/s1
InChIKeyTWSKOUMGNPYUPX-HNNXBMFYSA-N
XLogP2.84
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethylsulfanyl-1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 97435799
(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72844258
2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]acetamide
CID 72908659
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
CID 72931543
1-ethyl-4-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]pyridin-2-one
CID 72895390
4-[5-[2-(2-oxopyrrolidin-1-yl)propanoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzamide
CID 91797048
2-phenyl-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propan-1-one
CID 72882017
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97438500
4-methoxy-6-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]pyrimidin-2-amine
CID 72873967
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
2-(4-methoxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 83949419

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one (CID 97434224) is (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one is COc1ccc(-c2nc3c([nH]2)CN([C@@H](C)C(=O)N2CCCCC2)CC3)cc1.
What is the InChIKey of (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is TWSKOUMGNPYUPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-15(21(26)24-11-4-3-5-12-24)25-13-10-18-19(14-25)23-20(22-18)16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-14H2,1-2H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one?
(2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 368.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 97434224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).