1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide

C18H25N3O3 — CID 110675153

IUPAC1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H25N3O3/c19-18(23)15-5-7-21(8-6-15)17(22)13-14-1-3-16(4-2-14)20-9-11-24-12-10-20/h1-4,15H,5-13H2,(H2,19,23)
InChIKeyPRHWUIDYHNXBPT-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.79
Rot. Bonds4

About 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide

1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide (PubChem CID 110675153) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
PubChem CID110675153
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)Cc2ccc(N3CCOCC3)cc2)CC1
InChIInChI=1S/C18H25N3O3/c19-18(23)15-5-7-21(8-6-15)17(22)13-14-1-3-16(4-2-14)20-9-11-24-12-10-20/h1-4,15H,5-13H2,(H2,19,23)
InChIKeyPRHWUIDYHNXBPT-UHFFFAOYSA-N
XLogP0.79
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(2-methylpropyl)phenyl]acetyl]piperidine-4-carboxamide
CID 51218966
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
1-[2-(3-aminophenyl)acetyl]piperidine-4-carboxamide
CID 28711990
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
2-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
2-(4-cyclohexylphenyl)-1-morpholin-4-ylethanone
CID 110767551
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-piperidin-1-ylphenyl)ethanone
CID 110648813
2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone
CID 125472611
2-(4-fluorophenyl)-1-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 110365721

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide (CID 110675153) is 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)Cc2ccc(N3CCOCC3)cc2)CC1.
What is the InChIKey of 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide?
The InChIKey is PRHWUIDYHNXBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c19-18(23)15-5-7-21(8-6-15)17(22)13-14-1-3-16(4-2-14)20-9-11-24-12-10-20/h1-4,15H,5-13H2,(H2,19,23).
What are the key properties of 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide?
1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 110675153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).