2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide

C19H29N3O2 — CID 75381420

IUPAC2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(NC3CCOCC3)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-6-10-22(11-7-15)14-19(23)21-17-4-2-16(3-5-17)20-18-8-12-24-13-9-18/h2-5,15,18,20H,6-14H2,1H3,(H,21,23)
InChIKeyXNPXGAYYRXSJOK-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.95
Rot. Bonds5

About 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide

2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide (PubChem CID 75381420) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
PubChem CID75381420
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(NC3CCOCC3)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-6-10-22(11-7-15)14-19(23)21-17-4-2-16(3-5-17)20-18-8-12-24-13-9-18/h2-5,15,18,20H,6-14H2,1H3,(H,21,23)
InChIKeyXNPXGAYYRXSJOK-UHFFFAOYSA-N
XLogP2.95
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
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
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-2-morpholin-4-ylacetamide
CID 1071220
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
N-(4-fluorophenyl)-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]acetamide
CID 2697800
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
CID 119873635
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide (CID 75381420) is 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide is CC1CCN(CC(=O)Nc2ccc(NC3CCOCC3)cc2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide?
The InChIKey is XNPXGAYYRXSJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-6-10-22(11-7-15)14-19(23)21-17-4-2-16(3-5-17)20-18-8-12-24-13-9-18/h2-5,15,18,20H,6-14H2,1H3,(H,21,23).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 75381420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).