5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one

C22H35N5O3 — CID 45236464

IUPAC5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H35N5O3/c28-21-3-2-20(17-27(21)8-1-7-24-12-14-30-15-13-24)22(29)26-9-4-19(5-10-26)16-25-11-6-23-18-25/h6,11,18-20H,1-5,7-10,12-17H2
InChIKeyTUUZSCVFVAXITG-UHFFFAOYSA-N
MW417.55 g/mol
LogP1.08
Rot. Bonds7

About 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one

5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one (PubChem CID 45236464) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one.

Molecular Properties

Compound Name5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
PubChem CID45236464
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Name5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1
InChIInChI=1S/C22H35N5O3/c28-21-3-2-20(17-27(21)8-1-7-24-12-14-30-15-13-24)22(29)26-9-4-19(5-10-26)16-25-11-6-23-18-25/h6,11,18-20H,1-5,7-10,12-17H2
InChIKeyTUUZSCVFVAXITG-UHFFFAOYSA-N
XLogP1.08
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The IUPAC name of 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one (CID 45236464) is 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one.
What is the SMILES notation for 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The canonical SMILES for 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one is O=C1CCC(C(=O)N2CCC(Cn3ccnc3)CC2)CN1CCCN1CCOCC1.
What is the InChIKey of 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
The InChIKey is TUUZSCVFVAXITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O3/c28-21-3-2-20(17-27(21)8-1-7-24-12-14-30-15-13-24)22(29)26-9-4-19(5-10-26)16-25-11-6-23-18-25/h6,11,18-20H,1-5,7-10,12-17H2.
What are the key properties of 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one?
5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one has a molecular weight of 417.55 g/mol, XLogP of 1.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(imidazol-1-ylmethyl)piperidine-1-carbonyl]-1-(3-morpholin-4-ylpropyl)piperidin-2-one is sourced from PubChem (CID 45236464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).