2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone

C15H29N3O — CID 106640711

IUPAC2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCC1)CC1CCCNC1
InChIInChI=1S/C15H29N3O/c1-2-8-17(12-14-6-5-7-16-11-14)13-15(19)18-9-3-4-10-18/h14,16H,2-13H2,1H3
InChIKeyBXUAXSGILRJDJV-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds6

About 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone

2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone (PubChem CID 106640711) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
PubChem CID106640711
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone
SMILESCCCN(CC(=O)N1CCCC1)CC1CCCNC1
InChIInChI=1S/C15H29N3O/c1-2-8-17(12-14-6-5-7-16-11-14)13-15(19)18-9-3-4-10-18/h14,16H,2-13H2,1H3
InChIKeyBXUAXSGILRJDJV-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-[2-[piperidin-3-ylmethyl(propyl)amino]acetyl]imidazolidin-2-one
CID 106640737
N'-acetyl-2-[piperidin-3-ylmethyl(propyl)amino]acetohydrazide
CID 106640655
N-butan-2-yl-2-[piperidin-3-ylmethyl(propyl)amino]acetamide
CID 106640806
N-methyl-2-[piperidin-3-ylmethyl(propyl)amino]-N-propan-2-ylacetamide
CID 106640901
1-[2-[cyclopropylmethyl(propyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62656849
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
3-[piperidin-3-ylmethyl(propyl)amino]propan-1-ol
CID 106640793
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
1-[2-[piperidin-3-ylmethyl(propyl)amino]ethyl]imidazolidin-2-one
CID 106640651
N-(2-methylsulfanylethyl)-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640432
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636866

Frequently Asked Questions

What is the IUPAC name of 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone (CID 106640711) is 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone is CCCN(CC(=O)N1CCCC1)CC1CCCNC1.
What is the InChIKey of 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
The InChIKey is BXUAXSGILRJDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-2-8-17(12-14-6-5-7-16-11-14)13-15(19)18-9-3-4-10-18/h14,16H,2-13H2,1H3.
What are the key properties of 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone?
2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone has a molecular weight of 267.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[piperidin-3-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 106640711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).