3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one

C20H33N5O — CID 120982856

IUPAC3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CCC(=O)N1CCNCC1)CC1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H33N5O/c1-2-23(12-8-20(26)25-15-10-21-11-16-25)17-18-6-13-24(14-7-18)19-5-3-4-9-22-19/h3-5,9,18,21H,2,6-8,10-17H2,1H3
InChIKeyOXMCXYWYLDUFGM-UHFFFAOYSA-N
MW359.52 g/mol
LogP1.44
Rot. Bonds7

About 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one

3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982856) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
PubChem CID120982856
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
SMILESCCN(CCC(=O)N1CCNCC1)CC1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H33N5O/c1-2-23(12-8-20(26)25-15-10-21-11-16-25)17-18-6-13-24(14-7-18)19-5-3-4-9-22-19/h3-5,9,18,21H,2,6-8,10-17H2,1H3
InChIKeyOXMCXYWYLDUFGM-UHFFFAOYSA-N
XLogP1.44
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one with MolForge

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Related Compounds

N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
3-[(3S)-1-[2-(diethylamino)acetyl]piperidin-3-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 25365297
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
3-[methyl(pyridin-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 55085672
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
1-morpholin-4-yl-2-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 175648113

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one (CID 120982856) is 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one is CCN(CCC(=O)N1CCNCC1)CC1CCN(c2ccccn2)CC1.
What is the InChIKey of 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
The InChIKey is OXMCXYWYLDUFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-2-23(12-8-20(26)25-15-10-21-11-16-25)17-18-6-13-24(14-7-18)19-5-3-4-9-22-19/h3-5,9,18,21H,2,6-8,10-17H2,1H3.
What are the key properties of 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one?
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one has a molecular weight of 359.52 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).