2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride

C15H29Cl2N3O2 — CID 154909567

IUPAC2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCNCC1)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C15H27N3O2.2ClH/c19-15(9-12-3-5-16-6-4-12)17-13-10-20-11-14(13)18-7-1-2-8-18;;/h12-14,16H,1-11H2,(H,17,19);2*1H/t13-,14-;;/m0../s1
InChIKeyXAILUQYOJSLSPI-AXEKQOJOSA-N
MW354.32 g/mol
LogP1.20
Rot. Bonds4

About 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride

2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride (PubChem CID 154909567) has the molecular formula C15H29Cl2N3O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride
PubChem CID154909567
Molecular FormulaC15H29Cl2N3O2
Molecular Weight354.32 g/mol
Exact Mass353.16
IUPAC Name2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCNCC1)N[C@H]1COC[C@@H]1N1CCCC1
InChIInChI=1S/C15H27N3O2.2ClH/c19-15(9-12-3-5-16-6-4-12)17-13-10-20-11-14(13)18-7-1-2-8-18;;/h12-14,16H,1-11H2,(H,17,19);2*1H/t13-,14-;;/m0../s1
InChIKeyXAILUQYOJSLSPI-AXEKQOJOSA-N
XLogP1.20
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]piperidine-4-carboxamide
CID 122557604
N-[(3R,4R)-4-(4-methylpiperazin-1-yl)oxolan-3-yl]piperidine-4-carboxamide;dihydrochloride
CID 154908534
N-(2-hydroxycycloheptyl)-2-piperidin-4-ylacetamide
CID 113394752
2-(2,4-dioxoimidazolidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;formic acid
CID 154907499
N-(2,3-dimethylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119676189
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
N-(1,3-dimethylpiperidin-4-yl)-2-piperidin-4-ylacetamide
CID 113267502
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
2-(1,3-benzodioxol-5-yl)-N-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 133266993
N-(2-ethylsulfanylcyclopentyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119818862
2-cyclohexyl-N-[(3S,4S)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]acetamide
CID 95313255
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 133266900

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride?
The IUPAC name of 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride (CID 154909567) is 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride.
What is the SMILES notation for 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride?
The canonical SMILES for 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCNCC1)N[C@H]1COC[C@@H]1N1CCCC1.
What is the InChIKey of 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride?
The InChIKey is XAILUQYOJSLSPI-AXEKQOJOSA-N. The full InChI is InChI=1S/C15H27N3O2.2ClH/c19-15(9-12-3-5-16-6-4-12)17-13-10-20-11-14(13)18-7-1-2-8-18;;/h12-14,16H,1-11H2,(H,17,19);2*1H/t13-,14-;;/m0../s1.
What are the key properties of 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride?
2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide;dihydrochloride is sourced from PubChem (CID 154909567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).