1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one

C18H30N2O4 — CID 132971515

IUPAC1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one
SMILESCC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCOC1CCOCC1
InChIInChI=1S/C18H30N2O4/c1-18(2)13-19(17(22)14-3-4-14)8-9-20(18)16(21)7-12-24-15-5-10-23-11-6-15/h14-15H,3-13H2,1-2H3
InChIKeyHTBDQAKWZCORFO-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.43
Rot. Bonds5

About 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one

1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one (PubChem CID 132971515) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one
PubChem CID132971515
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one
SMILESCC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCOC1CCOCC1
InChIInChI=1S/C18H30N2O4/c1-18(2)13-19(17(22)14-3-4-14)8-9-20(18)16(21)7-12-24-15-5-10-23-11-6-15/h14-15H,3-13H2,1-2H3
InChIKeyHTBDQAKWZCORFO-UHFFFAOYSA-N
XLogP1.43
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one with MolForge

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(oxan-4-yloxy)propan-1-one
CID 120817284
6-[3-(oxan-4-yloxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514759
1-(3,5-dimethylpiperazin-1-yl)-3-(oxan-4-yloxy)propan-1-one;hydrochloride
CID 119564455
1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-2-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanone
CID 128562927
methyl 4-(4-acetyl-2,2-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 136581529
(3aS,6aR)-2-[3-(oxan-4-yloxy)propanoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682088
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
N-[3-(aminomethyl)pentan-3-yl]-3-(oxan-4-yloxy)propanamide;hydrochloride
CID 119570341
2-[4-[3-(oxan-4-yloxy)propanoyl]thiomorpholin-3-yl]acetic acid
CID 120520657
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one?
The IUPAC name of 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one (CID 132971515) is 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one?
The canonical SMILES for 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one is CC1(C)CN(C(=O)C2CC2)CCN1C(=O)CCOC1CCOCC1.
What is the InChIKey of 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one?
The InChIKey is HTBDQAKWZCORFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-18(2)13-19(17(22)14-3-4-14)8-9-20(18)16(21)7-12-24-15-5-10-23-11-6-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one?
1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one has a molecular weight of 338.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropanecarbonyl)-2,2-dimethylpiperazin-1-yl]-3-(oxan-4-yloxy)propan-1-one is sourced from PubChem (CID 132971515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).