1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide

C18H26N4O3 — CID 2400583

IUPAC1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H26N4O3/c19-18(24)14-5-7-21(8-6-14)13-17(23)20-15-1-3-16(4-2-15)22-9-11-25-12-10-22/h1-4,14H,5-13H2,(H2,19,24)(H,20,23)
InChIKeyXOYQIIFHPPPIIV-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.66
Rot. Bonds5

About 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 2400583) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID2400583
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H26N4O3/c19-18(24)14-5-7-21(8-6-14)13-17(23)20-15-1-3-16(4-2-15)22-9-11-25-12-10-22/h1-4,14H,5-13H2,(H2,19,24)(H,20,23)
InChIKeyXOYQIIFHPPPIIV-UHFFFAOYSA-N
XLogP0.66
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 2400582
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 4824447
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
N-(4-iodophenyl)-2-[4-(morpholine-4-carbonyl)piperidin-1-yl]acetamide
CID 55355785
3-(4-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 46683230
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
N-(4-fluorophenyl)-2-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16809605
2-[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55838917

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 2400583) is 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is XOYQIIFHPPPIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c19-18(24)14-5-7-21(8-6-14)13-17(23)20-15-1-3-16(4-2-15)22-9-11-25-12-10-22/h1-4,14H,5-13H2,(H2,19,24)(H,20,23).
What are the key properties of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 2400583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).