1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone

C15H29N3O — CID 55203821

IUPAC1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
SMILESCCCN(CC(=O)N1CCC(C)CC1)C1CCNC1
InChIInChI=1S/C15H29N3O/c1-3-8-18(14-4-7-16-11-14)12-15(19)17-9-5-13(2)6-10-17/h13-14,16H,3-12H2,1-2H3
InChIKeyPIYJVNZBSBITSY-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds5

About 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone

1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone (PubChem CID 55203821) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
PubChem CID55203821
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
SMILESCCCN(CC(=O)N1CCC(C)CC1)C1CCNC1
InChIInChI=1S/C15H29N3O/c1-3-8-18(14-4-7-16-11-14)12-15(19)17-9-5-13(2)6-10-17/h13-14,16H,3-12H2,1-2H3
InChIKeyPIYJVNZBSBITSY-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylpiperidin-1-yl)-2-[piperidin-4-yl(propyl)amino]ethanone
CID 60806824
1-[2-[piperidin-4-yl(propyl)amino]acetyl]piperidin-4-one
CID 62029166
2-[azetidin-3-yl(propyl)amino]-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 66216113
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521
N-(4-methylcyclohexyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921661
N-cyclopropyl-N-methyl-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921748
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
1-(2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 63304419
N'-acetyl-2-[propyl(pyrrolidin-3-yl)amino]acetohydrazide
CID 63300602
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone
CID 119921401
N-(2-methylpropyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921772
1-[2-[cyclopropyl(propyl)amino]acetyl]piperidine-4-carbohydrazide
CID 63572523

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone (CID 55203821) is 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone is CCCN(CC(=O)N1CCC(C)CC1)C1CCNC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
The InChIKey is PIYJVNZBSBITSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-8-18(14-4-7-16-11-14)12-15(19)17-9-5-13(2)6-10-17/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone?
1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[propyl(pyrrolidin-3-yl)amino]ethanone is sourced from PubChem (CID 55203821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).