1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

C22H38N4O3 — CID 86890817

IUPAC1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCN(C(C)C(=O)N3CCCCC3)CC2)C1
InChIInChI=1S/C22H38N4O3/c1-3-8-20(27)26-12-7-9-19(17-26)22(29)25-15-13-23(14-16-25)18(2)21(28)24-10-5-4-6-11-24/h18-19H,3-17H2,1-2H3
InChIKeyLRZUEZFKEWZKMV-UHFFFAOYSA-N
MW406.57 g/mol
LogP1.57
Rot. Bonds5

About 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one

1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 86890817) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID86890817
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCCC(C(=O)N2CCN(C(C)C(=O)N3CCCCC3)CC2)C1
InChIInChI=1S/C22H38N4O3/c1-3-8-20(27)26-12-7-9-19(17-26)22(29)25-15-13-23(14-16-25)18(2)21(28)24-10-5-4-6-11-24/h18-19H,3-17H2,1-2H3
InChIKeyLRZUEZFKEWZKMV-UHFFFAOYSA-N
XLogP1.57
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one with MolForge

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Related Compounds

1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 134058372
1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119423719
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
4-amino-1-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]pentan-1-one
CID 120565930
2-[4-(3-aminopropanoyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 119898989
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
N-ethyl-4-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-propan-2-ylpiperazine-1-carboxamide
CID 75507547
1-[3-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55884363
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 86890817) is 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is CCCC(=O)N1CCCC(C(=O)N2CCN(C(C)C(=O)N3CCCCC3)CC2)C1.
What is the InChIKey of 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is LRZUEZFKEWZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-3-8-20(27)26-12-7-9-19(17-26)22(29)25-15-13-23(14-16-25)18(2)21(28)24-10-5-4-6-11-24/h18-19H,3-17H2,1-2H3.
What are the key properties of 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one?
1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 406.57 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 86890817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).