2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone

C14H27N3O — CID 107163702

IUPAC2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN1CCC(C)(CNCC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(5-9-16(2)10-6-14)12-15-11-13(18)17-7-3-4-8-17/h15H,3-12H2,1-2H3
InChIKeyRXRIKYCNMLWMOF-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds4

About 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone

2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone (PubChem CID 107163702) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
PubChem CID107163702
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
SMILESCN1CCC(C)(CNCC(=O)N2CCCC2)CC1
InChIInChI=1S/C14H27N3O/c1-14(5-9-16(2)10-6-14)12-15-11-13(18)17-7-3-4-8-17/h15H,3-12H2,1-2H3
InChIKeyRXRIKYCNMLWMOF-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674
2-Methyl-2,8-diazaspiro[4.5]decan-1-one
CID 327024
N1-((1-methylpiperidin-4-yl)methyl)-N2-propyloxalamide
CID 16886495
2-(Dimethylamino)-1-[4-fluoro-4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 169820158
1-(4,4-Dimethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78957861
1-(4-Ethyl-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958001
1-[4-(Pyrrolidin-1-ylmethyl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958296
1-(4,4-Diethylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 79261789
1-(3,3-Diethylpyrrolidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 80171021
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104008208
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107163532
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 113925102

Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone (CID 107163702) is 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone is CN1CCC(C)(CNCC(=O)N2CCCC2)CC1.
What is the InChIKey of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
The InChIKey is RXRIKYCNMLWMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-14(5-9-16(2)10-6-14)12-15-11-13(18)17-7-3-4-8-17/h15H,3-12H2,1-2H3.
What are the key properties of 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone?
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone has a molecular weight of 253.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-dimethylpiperidin-4-yl)methylamino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 107163702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).