2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide

C20H28N6O2 — CID 154795501

IUPAC2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
SMILESCCn1ccnc1C1CCCCN1C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C20H28N6O2/c1-2-24-10-8-21-19(24)17-5-3-4-9-26(17)20(27)23-18-7-6-16(15-22-18)25-11-13-28-14-12-25/h6-8,10,15,17H,2-5,9,11-14H2,1H3,(H,22,23,27)
InChIKeyPTUMBIYEFABLQY-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.89
Rot. Bonds4

About 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide

2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide (PubChem CID 154795501) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
PubChem CID154795501
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide
SMILESCCn1ccnc1C1CCCCN1C(=O)Nc1ccc(N2CCOCC2)cn1
InChIInChI=1S/C20H28N6O2/c1-2-24-10-8-21-19(24)17-5-3-4-9-26(17)20(27)23-18-7-6-16(15-22-18)25-11-13-28-14-12-25/h6-8,10,15,17H,2-5,9,11-14H2,1H3,(H,22,23,27)
InChIKeyPTUMBIYEFABLQY-UHFFFAOYSA-N
XLogP2.89
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide (CID 154795501) is 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide is CCn1ccnc1C1CCCCN1C(=O)Nc1ccc(N2CCOCC2)cn1.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide?
The InChIKey is PTUMBIYEFABLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-2-24-10-8-21-19(24)17-5-3-4-9-26(17)20(27)23-18-7-6-16(15-22-18)25-11-13-28-14-12-25/h6-8,10,15,17H,2-5,9,11-14H2,1H3,(H,22,23,27).
What are the key properties of 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide?
2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-N-(5-morpholin-4-yl-2-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 154795501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).