(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

C13H23N3O2 — CID 66237050

IUPAC(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H23N3O2/c14-12-9-18-8-11(12)13(17)16-5-3-15(4-6-16)7-10-1-2-10/h10-12H,1-9,14H2
InChIKeyQFHJCCCWXGJJOH-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.49
Rot. Bonds3

About (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone

(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (PubChem CID 66237050) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
PubChem CID66237050
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone
SMILESNC1COCC1C(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H23N3O2/c14-12-9-18-8-11(12)13(17)16-5-3-15(4-6-16)7-10-1-2-10/h10-12H,1-9,14H2
InChIKeyQFHJCCCWXGJJOH-UHFFFAOYSA-N
XLogP-0.49
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxolan-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 66236078
(4-aminooxolan-3-yl)-(4-benzylpiperazin-1-yl)methanone
CID 66240985
(4-aminooxolan-3-yl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 66235230
1-(4-aminooxolane-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 66240807
1-(4-aminooxolane-3-carbonyl)-N-ethylpiperidine-4-carboxamide
CID 66235835
2-[1-(4-aminooxolane-3-carbonyl)piperidin-3-yl]acetic acid
CID 66235676
(4-aminooxolan-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 66239793
(3S)-1-(4-aminooxolane-3-carbonyl)piperidine-3-carboxylic acid
CID 81126290
2-(4-aminooxolane-3-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855461
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
(4-aminooxolan-3-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 66238264
(4-aminooxolan-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 66238290

Frequently Asked Questions

What is the IUPAC name of (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone (CID 66237050) is (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is NC1COCC1C(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
The InChIKey is QFHJCCCWXGJJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-12-9-18-8-11(12)13(17)16-5-3-15(4-6-16)7-10-1-2-10/h10-12H,1-9,14H2.
What are the key properties of (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone?
(4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone has a molecular weight of 253.35 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxolan-3-yl)-[4-(cyclopropylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 66237050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).