[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C14H25N3O2 — CID 61176841

IUPAC[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1C1CCOCC1)N1CCNCC1
InChIInChI=1S/C14H25N3O2/c18-14(16-8-5-15-6-9-16)13-2-1-7-17(13)12-3-10-19-11-4-12/h12-13,15H,1-11H2
InChIKeyJADKYEWIWINCLD-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.06
Rot. Bonds2

About [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61176841) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61176841
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCCN1C1CCOCC1)N1CCNCC1
InChIInChI=1S/C14H25N3O2/c18-14(16-8-5-15-6-9-16)13-2-1-7-17(13)12-3-10-19-11-4-12/h12-13,15H,1-11H2
InChIKeyJADKYEWIWINCLD-UHFFFAOYSA-N
XLogP0.06
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(oxolan-3-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 63333598
piperazin-1-yl-[1-(thian-4-yl)pyrrolidin-2-yl]methanone
CID 54981939
[1-(4-methylcycloheptyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65085268
(2R)-1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51980114
1-(oxan-4-yl)pyrrolidine-2-carboxylic acid
CID 51063851
(4,4-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 62931613
[4-(hydroxymethyl)piperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61020228
[1-(2-hydroxycyclopentyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175530
(4-methyl-1,4-diazepan-1-yl)-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 61019778
[(3S)-3-hydroxypiperidin-1-yl]-(1-piperidin-4-ylpyrrolidin-2-yl)methanone
CID 107222957
1-oxa-4-azaspiro[5.5]undecan-4-yl-[(2R)-1-(oxan-4-yl)pyrrolidin-2-yl]methanone
CID 99838429
2-methyl-1-[1-(oxan-4-yl)pyrrolidin-2-yl]prop-2-en-1-one
CID 91452980

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61176841) is [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is O=C(C1CCCN1C1CCOCC1)N1CCNCC1.
What is the InChIKey of [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is JADKYEWIWINCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c18-14(16-8-5-15-6-9-16)13-2-1-7-17(13)12-3-10-19-11-4-12/h12-13,15H,1-11H2.
What are the key properties of [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 267.37 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-4-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61176841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).