cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

C14H24N2O2 — CID 94794131

IUPACcyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(12-3-1-4-12)16-8-6-15(7-9-16)11-13-5-2-10-18-13/h12-13H,1-11H2/t13-/m0/s1
InChIKeyQQWAPXMVWHNGFS-ZDUSSCGKSA-N
MW252.36 g/mol
LogP1.11
Rot. Bonds3

About cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone

cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 94794131) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID94794131
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Namecyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCN(C[C@@H]2CCCO2)CC1
InChIInChI=1S/C14H24N2O2/c17-14(12-3-1-4-12)16-8-6-15(7-9-16)11-13-5-2-10-18-13/h12-13H,1-11H2/t13-/m0/s1
InChIKeyQQWAPXMVWHNGFS-ZDUSSCGKSA-N
XLogP1.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
cyclobutyl-[9-[[(2S)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-2-yl]methanone
CID 97484565
(3-aminocyclopentyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 66008772
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
(4-hydroxypyrrolidin-2-yl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937670
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]acetic acid;hydrochloride
CID 67009184
2,2,2-trifluoro-1-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 63198975

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone (CID 94794131) is cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is O=C(C1CCC1)N1CCN(C[C@@H]2CCCO2)CC1.
What is the InChIKey of cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is QQWAPXMVWHNGFS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(12-3-1-4-12)16-8-6-15(7-9-16)11-13-5-2-10-18-13/h12-13H,1-11H2/t13-/m0/s1.
What are the key properties of cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone?
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 252.36 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 94794131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).