2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone

C14H27N3O — CID 63634230

IUPAC2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCCNC2)CC1(C)C
InChIInChI=1S/C14H27N3O/c1-14(2)11-17(8-7-16(14)3)13(18)9-12-5-4-6-15-10-12/h12,15H,4-11H2,1-3H3
InChIKeyNYDNKCPKGFVDAN-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds2

About 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone

2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone (PubChem CID 63634230) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
PubChem CID63634230
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)CC2CCCNC2)CC1(C)C
InChIInChI=1S/C14H27N3O/c1-14(2)11-17(8-7-16(14)3)13(18)9-12-5-4-6-15-10-12/h12,15H,4-11H2,1-3H3
InChIKeyNYDNKCPKGFVDAN-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
CID 107218340
N,3-dimethyl-1-(2-piperidin-3-ylacetyl)pyrrolidine-3-carboxamide
CID 106318342
1-(3-ethylpiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62689348
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
2-piperidin-3-yl-1-(2,2,5,5-tetramethylpiperidin-1-yl)ethanone
CID 138057222
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
1-(3-methoxypyrrolidin-1-yl)-2-piperidin-3-ylethanone
CID 103532971
methyl 1-(2-piperidin-3-ylacetyl)piperidine-4-carboxylate
CID 62674333
1-(4-ethoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62691409

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone (CID 63634230) is 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone is CN1CCN(C(=O)CC2CCCNC2)CC1(C)C.
What is the InChIKey of 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
The InChIKey is NYDNKCPKGFVDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(2)11-17(8-7-16(14)3)13(18)9-12-5-4-6-15-10-12/h12,15H,4-11H2,1-3H3.
What are the key properties of 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone?
2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 63634230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).