1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

C18H31N3O2 — CID 134058372

IUPAC1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H31N3O2/c1-15(17(22)20-9-3-2-4-10-20)19-13-7-16(8-14-19)18(23)21-11-5-6-12-21/h15-16H,2-14H2,1H3
InChIKeyBQZJVJUFVDVFSE-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.72
Rot. Bonds3

About 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one

1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (PubChem CID 134058372) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
PubChem CID134058372
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCC(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H31N3O2/c1-15(17(22)20-9-3-2-4-10-20)19-13-7-16(8-14-19)18(23)21-11-5-6-12-21/h15-16H,2-14H2,1H3
InChIKeyBQZJVJUFVDVFSE-UHFFFAOYSA-N
XLogP1.72
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373
1-(azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 60676901
N,N-dimethyl-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide
CID 78788245
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
methyl 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperidine-4-carboxylate
CID 60638892
2-[4-(hydroxymethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 60769000
1-(azepan-1-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 78963692
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
(2S)-2-[4-(2-methylpropoxy)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 94651845
1-(1-oxo-1-piperidin-1-ylpropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 78817808
azetidin-1-yl-[(4R)-1-propan-2-ylazepan-4-yl]methanone
CID 121368635
1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 86890817

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one (CID 134058372) is 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCCCC1)N1CCC(C(=O)N2CCCC2)CC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
The InChIKey is BQZJVJUFVDVFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-15(17(22)20-9-3-2-4-10-20)19-13-7-16(8-14-19)18(23)21-11-5-6-12-21/h15-16H,2-14H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one?
1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one has a molecular weight of 321.47 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 134058372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).