1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one

C20H30N4O — CID 110223919

IUPAC1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one
SMILESCCN(CC)CC1CCCN(C(=O)CCn2ccc3ccncc32)C1
InChIInChI=1S/C20H30N4O/c1-3-22(4-2)15-17-6-5-11-24(16-17)20(25)9-13-23-12-8-18-7-10-21-14-19(18)23/h7-8,10,12,14,17H,3-6,9,11,13,15-16H2,1-2H3
InChIKeyTXNHZRVAGQZVPI-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.01
Rot. Bonds7

About 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one

1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one (PubChem CID 110223919) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one
PubChem CID110223919
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one
SMILESCCN(CC)CC1CCCN(C(=O)CCn2ccc3ccncc32)C1
InChIInChI=1S/C20H30N4O/c1-3-22(4-2)15-17-6-5-11-24(16-17)20(25)9-13-23-12-8-18-7-10-21-14-19(18)23/h7-8,10,12,14,17H,3-6,9,11,13,15-16H2,1-2H3
InChIKeyTXNHZRVAGQZVPI-UHFFFAOYSA-N
XLogP3.01
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one with MolForge

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Related Compounds

1-[(3S)-3-imidazol-1-ylpiperidin-1-yl]-3-indol-1-ylpropan-1-one
CID 95313767
1-(4-aminopiperidin-1-yl)-2-pyrrolo[2,3-c]pyridin-1-ylethanone
CID 92577999
3-indol-1-yl-1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 95323599
1-[3-(phenoxymethyl)piperidin-1-yl]-3-pyrrolo[2,3-b]pyridin-1-ylpropan-1-one
CID 166104940
1-[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-3-(2-ethylimidazol-1-yl)propan-1-one
CID 110113154
3-indol-1-yl-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 9255042
N-[(3R)-2-oxoazepan-3-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropanamide
CID 92578020
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
4-(pyrrolo[2,3-c]pyridin-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 172581981
3-[(3S)-1-[2-(diethylamino)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25365297
3-(2-methylimidazol-1-yl)-1-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 45208694
3-(hydroxymethyl)-N-(1-propylindol-6-yl)piperidine-1-carboxamide
CID 111474969

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one?
The IUPAC name of 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one (CID 110223919) is 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one is CCN(CC)CC1CCCN(C(=O)CCn2ccc3ccncc32)C1.
What is the InChIKey of 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one?
The InChIKey is TXNHZRVAGQZVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-22(4-2)15-17-6-5-11-24(16-17)20(25)9-13-23-12-8-18-7-10-21-14-19(18)23/h7-8,10,12,14,17H,3-6,9,11,13,15-16H2,1-2H3.
What are the key properties of 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one?
1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one has a molecular weight of 342.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylaminomethyl)piperidin-1-yl]-3-pyrrolo[2,3-c]pyridin-1-ylpropan-1-one is sourced from PubChem (CID 110223919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).