bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone

C23H42N4O — CID 174669277

IUPACbis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CCC2CCCN2)CC1)C1CCN(CCC2CCCN2)CC1
InChIInChI=1S/C23H42N4O/c28-23(19-5-13-26(14-6-19)17-9-21-3-1-11-24-21)20-7-15-27(16-8-20)18-10-22-4-2-12-25-22/h19-22,24-25H,1-18H2
InChIKeyDJUCRPWAZFIYHT-UHFFFAOYSA-N
MW390.62 g/mol
LogP2.26
Rot. Bonds8

About bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone

bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone (PubChem CID 174669277) has the molecular formula C23H42N4O and a molecular weight of 390.62 g/mol. Its IUPAC name is bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Namebis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone
PubChem CID174669277
Molecular FormulaC23H42N4O
Molecular Weight390.62 g/mol
Exact Mass390.34
IUPAC Namebis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(CCC2CCCN2)CC1)C1CCN(CCC2CCCN2)CC1
InChIInChI=1S/C23H42N4O/c28-23(19-5-13-26(14-6-19)17-9-21-3-1-11-24-21)20-7-15-27(16-8-20)18-10-22-4-2-12-25-22/h19-22,24-25H,1-18H2
InChIKeyDJUCRPWAZFIYHT-UHFFFAOYSA-N
XLogP2.26
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.62
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-piperidin-1-yl-1-(2-pyrrolidin-2-ylethyl)piperidine
CID 61366277
N,N-dimethyl-1-(2-pyrrolidin-2-ylethyl)piperidin-4-amine
CID 61364502
N-[1-(3-pyrrolidin-2-ylpropyl)piperidin-4-yl]acetamide
CID 113402351
4-methyl-1-(2-piperidin-2-ylethyl)piperidine;dihydrochloride
CID 56831635
N,N-dimethyl-1-(2-piperidin-2-ylethyl)piperidin-4-amine
CID 43586097
1-ethyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149889
1-(4-piperidin-2-ylbutyl)piperidine
CID 15057319
N-(2-piperidin-1-ylethyl)-2-pyrrolidin-2-ylacetamide
CID 54967426
1-(2-piperidin-1-ylethyl)-3-(pyrrolidin-2-ylmethyl)urea
CID 117235868
1-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62480123
2-(2-pyrrolidin-2-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79935982
2-pyrrolidin-2-yl-N-(3-pyrrolidin-1-ylpropyl)acetamide;dihydrochloride
CID 119835586

Frequently Asked Questions

What is the IUPAC name of bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone?
The IUPAC name of bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone (CID 174669277) is bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone.
What is the SMILES notation for bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone?
The canonical SMILES for bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone is O=C(C1CCN(CCC2CCCN2)CC1)C1CCN(CCC2CCCN2)CC1.
What is the InChIKey of bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone?
The InChIKey is DJUCRPWAZFIYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O/c28-23(19-5-13-26(14-6-19)17-9-21-3-1-11-24-21)20-7-15-27(16-8-20)18-10-22-4-2-12-25-22/h19-22,24-25H,1-18H2.
What are the key properties of bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone?
bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone has a molecular weight of 390.62 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 174669277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).