1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one

C15H27N3O — CID 86043961

IUPAC1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one
SMILESC=CCC(=O)N1CCC(CN2CCC(N)CC2)CC1
InChIInChI=1S/C15H27N3O/c1-2-3-15(19)18-10-4-13(5-11-18)12-17-8-6-14(16)7-9-17/h2,13-14H,1,3-12,16H2
InChIKeyBWKNUOBCWCSCRB-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.22
Rot. Bonds4

About 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one

1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one (PubChem CID 86043961) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one.

Molecular Properties

Compound Name1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one
PubChem CID86043961
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one
SMILESC=CCC(=O)N1CCC(CN2CCC(N)CC2)CC1
InChIInChI=1S/C15H27N3O/c1-2-3-15(19)18-10-4-13(5-11-18)12-17-8-6-14(16)7-9-17/h2,13-14H,1,3-12,16H2
InChIKeyBWKNUOBCWCSCRB-UHFFFAOYSA-N
XLogP1.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(aziridin-1-yl)but-3-en-1-one
CID 170562782
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]but-3-en-1-one
CID 114799302
2-(4-aminopiperidin-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 43556819
2-amino-1-(4-aminopiperidin-1-yl)ethanone;hydrochloride
CID 131106028
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
2-(1-but-3-enoylpiperidin-4-yl)oxyacetic acid
CID 63870553
2-amino-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone;N,N-dimethylformamide;methane
CID 142427585
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
2-chloro-1-(4-prop-2-enylpiperidin-1-yl)ethanone
CID 176921496
2-[1-[2-(4-aminocyclohexyl)acetyl]piperidin-4-yl]acetamide
CID 62782565
1-[4-[(4-ethylpiperidin-1-yl)methyl]piperidin-1-yl]-3-methoxypropan-1-one
CID 167010737
2-(4-aminopiperidin-1-yl)-N-cyclopentyl-N-prop-2-enylacetamide
CID 79327937

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one?
The IUPAC name of 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one (CID 86043961) is 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one.
What is the SMILES notation for 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one?
The canonical SMILES for 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one is C=CCC(=O)N1CCC(CN2CCC(N)CC2)CC1.
What is the InChIKey of 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one?
The InChIKey is BWKNUOBCWCSCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-2-3-15(19)18-10-4-13(5-11-18)12-17-8-6-14(16)7-9-17/h2,13-14H,1,3-12,16H2.
What are the key properties of 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one?
1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one has a molecular weight of 265.40 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-aminopiperidin-1-yl)methyl]piperidin-1-yl]but-3-en-1-one is sourced from PubChem (CID 86043961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).