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

C18H27N4O3+ — CID 2400582

IUPAC1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](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)/p+1
InChIKeyXOYQIIFHPPPIIV-UHFFFAOYSA-O
MW347.44 g/mol
LogP-0.76
Rot. Bonds5

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

1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide (PubChem CID 2400582) has the molecular formula C18H27N4O3+ and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
PubChem CID2400582
Molecular FormulaC18H27N4O3+
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
SMILESNC(=O)C1CC[NH+](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)/p+1
InChIKeyXOYQIIFHPPPIIV-UHFFFAOYSA-O
XLogP-0.76
TPSA89.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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]piperidine-4-carboxamide
CID 2400583
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2478164
2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125724
1-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]piperidin-1-ium-4-carboxamide
CID 8531125
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2511135
2-(azepan-1-ium-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9298190
3-amino-N-(4-morpholin-4-ylphenyl)propanamide
CID 61252883
1-[2-(4-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8531109
2-amino-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]acetamide
CID 61253868
1-[2-[4-(4-ethoxyphenoxy)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxamide
CID 8530759
N-[4-(cyclopropanecarbonyl)phenyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612773
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 8686861

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide (CID 2400582) is 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide is NC(=O)C1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
The InChIKey is XOYQIIFHPPPIIV-UHFFFAOYSA-O. 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)/p+1.
What are the key properties of 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide?
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide has a molecular weight of 347.44 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 2400582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).