[1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C21H35N5O2 — CID 56748956

IUPAC[1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCn1ccnc1CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C21H35N5O2/c1-2-24-11-7-22-20(24)17-23-9-5-19(6-10-23)26-8-3-4-18(16-26)21(27)25-12-14-28-15-13-25/h7,11,18-19H,2-6,8-10,12-17H2,1H3
InChIKeyHIOYBSQJIUYJEN-UHFFFAOYSA-N
MW389.54 g/mol
LogP1.44
Rot. Bonds5

About [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56748956) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56748956
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name[1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCn1ccnc1CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C21H35N5O2/c1-2-24-11-7-22-20(24)17-23-9-5-19(6-10-23)26-8-3-4-18(16-26)21(27)25-12-14-28-15-13-25/h7,11,18-19H,2-6,8-10,12-17H2,1H3
InChIKeyHIOYBSQJIUYJEN-UHFFFAOYSA-N
XLogP1.44
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56748956) is [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is CCn1ccnc1CN1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is HIOYBSQJIUYJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-2-24-11-7-22-20(24)17-23-9-5-19(6-10-23)26-8-3-4-18(16-26)21(27)25-12-14-28-15-13-25/h7,11,18-19H,2-6,8-10,12-17H2,1H3.
What are the key properties of [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 389.54 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56748956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).