2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide

C18H27N3O2 — CID 4824447

IUPAC2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-15-3-2-8-20(13-15)14-18(22)19-16-4-6-17(7-5-16)21-9-11-23-12-10-21/h4-7,15H,2-3,8-14H2,1H3,(H,19,22)
InChIKeyDHWKNIIVGINTBY-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.19
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide

2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4824447) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4824447
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCC1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1
InChIInChI=1S/C18H27N3O2/c1-15-3-2-8-20(13-15)14-18(22)19-16-4-6-17(7-5-16)21-9-11-23-12-10-21/h4-7,15H,2-3,8-14H2,1H3,(H,19,22)
InChIKeyDHWKNIIVGINTBY-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
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

N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
N-(4-aminophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 16779145
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
2-(3-methylpiperidin-1-yl)-N-pyridin-4-ylacetamide
CID 17066608
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
CID 22197766
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-(3-methylpiperidin-1-yl)-N-(4-propan-2-yloxyphenyl)acetamide
CID 109006515
3-(3-hydroxypiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)propanamide
CID 71900221
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide (CID 4824447) is 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide is CC1CCCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is DHWKNIIVGINTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-15-3-2-8-20(13-15)14-18(22)19-16-4-6-17(7-5-16)21-9-11-23-12-10-21/h4-7,15H,2-3,8-14H2,1H3,(H,19,22).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 317.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4824447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).