[1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

C23H39N3O3 — CID 45235446

IUPAC[1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCC1(CC)CC1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C23H39N3O3/c1-3-23(4-2)17-20(23)22(28)25-11-7-19(8-12-25)24-9-5-18(6-10-24)21(27)26-13-15-29-16-14-26/h18-20H,3-17H2,1-2H3
InChIKeyYFPHMGCIJXOUGZ-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.37
Rot. Bonds5

About [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 45235446) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID45235446
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Name[1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESCCC1(CC)CC1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C23H39N3O3/c1-3-23(4-2)17-20(23)22(28)25-11-7-19(8-12-25)24-9-5-18(6-10-24)21(27)26-13-15-29-16-14-26/h18-20H,3-17H2,1-2H3
InChIKeyYFPHMGCIJXOUGZ-UHFFFAOYSA-N
XLogP2.37
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 45235446) is [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is CCC1(CC)CC1C(=O)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YFPHMGCIJXOUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c1-3-23(4-2)17-20(23)22(28)25-11-7-19(8-12-25)24-9-5-18(6-10-24)21(27)26-13-15-29-16-14-26/h18-20H,3-17H2,1-2H3.
What are the key properties of [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 405.58 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,2-diethylcyclopropanecarbonyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 45235446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).