2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

C15H27N3O — CID 63849232

IUPAC2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCCC1CNC1CC1)N1CCCC1
InChIInChI=1S/C15H27N3O/c19-15(17-8-3-4-9-17)12-18-10-2-1-5-14(18)11-16-13-6-7-13/h13-14,16H,1-12H2
InChIKeyNXACOPBUTODGQI-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.22
Rot. Bonds5

About 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 63849232) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID63849232
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCCC1CNC1CC1)N1CCCC1
InChIInChI=1S/C15H27N3O/c19-15(17-8-3-4-9-17)12-18-10-2-1-5-14(18)11-16-13-6-7-13/h13-14,16H,1-12H2
InChIKeyNXACOPBUTODGQI-UHFFFAOYSA-N
XLogP1.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 63848204
2-[2-(methylaminomethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 63249944
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63848368
N-cyclopropyl-2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-methylacetamide
CID 55258180
2-[2-[(2-methylpropylamino)methyl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 63854605
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 63849559
2-[1-(2-oxo-2-piperidin-1-ylethyl)piperidin-2-yl]acetic acid
CID 54899772
1-(azepan-1-yl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 62013945
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azepan-1-yl)ethanone;hydrochloride
CID 119926984
1-(4-acetylpiperazin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490555
2-[2-(aminomethyl)pyrrolidin-1-yl]-1-(azetidin-1-yl)ethanone
CID 82505741

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone (CID 63849232) is 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is O=C(CN1CCCCC1CNC1CC1)N1CCCC1.
What is the InChIKey of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is NXACOPBUTODGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15(17-8-3-4-9-17)12-18-10-2-1-5-14(18)11-16-13-6-7-13/h13-14,16H,1-12H2.
What are the key properties of 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 265.40 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclopropylamino)methyl]piperidin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63849232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).