2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C17H31N3O — CID 104979273

IUPAC2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C17H31N3O/c1-13-5-3-6-14(2)20(13)17(21)12-19(16-8-9-16)11-15-7-4-10-18-15/h13-16,18H,3-12H2,1-2H3
InChIKeyCIGGMZUAMXOCLF-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.99
Rot. Bonds5

About 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 104979273) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID104979273
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C17H31N3O/c1-13-5-3-6-14(2)20(13)17(21)12-19(16-8-9-16)11-15-7-4-10-18-15/h13-16,18H,3-12H2,1-2H3
InChIKeyCIGGMZUAMXOCLF-UHFFFAOYSA-N
XLogP1.99
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone
CID 106632312
1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-4-yl)amino]ethanone
CID 60806605
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylpiperidin-2-yl)ethanone
CID 107147481
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
1-(2-methylpiperidin-1-yl)-2-[methyl(piperidin-2-ylmethyl)amino]ethanone
CID 106635178
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-methyl-N-(4-methylcyclohexyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614235
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
2-[(2,6-dimethylcyclohexyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606785

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 104979273) is 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)CN(CC1CCCN1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is CIGGMZUAMXOCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-5-3-6-14(2)20(13)17(21)12-19(16-8-9-16)11-15-7-4-10-18-15/h13-16,18H,3-12H2,1-2H3.
What are the key properties of 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 293.45 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 104979273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).