N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

C19H29N3O2 — CID 108994306

IUPACN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CNCC3CCCO3)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-8-10-22(11-9-15)17-6-4-16(5-7-17)21-19(23)14-20-13-18-3-2-12-24-18/h4-7,15,18,20H,2-3,8-14H2,1H3,(H,21,23)
InChIKeyTZXOYDZBSWMDQW-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.63
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide

N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (PubChem CID 108994306) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
PubChem CID108994306
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
SMILESCC1CCN(c2ccc(NC(=O)CNCC3CCCO3)cc2)CC1
InChIInChI=1S/C19H29N3O2/c1-15-8-10-22(11-9-15)17-6-4-16(5-7-17)21-19(23)14-20-13-18-3-2-12-24-18/h4-7,15,18,20H,2-3,8-14H2,1H3,(H,21,23)
InChIKeyTZXOYDZBSWMDQW-UHFFFAOYSA-N
XLogP2.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
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-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-(4-acetamidophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 54815392
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
CID 113000233
N-(4-methylphenyl)-2-(oxan-2-ylmethylamino)acetamide
CID 55014055
N-methyl-4-[[2-(oxolan-2-ylmethylamino)acetyl]amino]benzamide
CID 54815292
2-(oxolan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110696650
N-(4-iodophenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119672668
N-(4-methylsulfanylphenyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119694259
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxan-3-yl)acetamide
CID 110862281
2-(oxan-2-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 110425035
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide (CID 108994306) is N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is CC1CCN(c2ccc(NC(=O)CNCC3CCCO3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
The InChIKey is TZXOYDZBSWMDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-8-10-22(11-9-15)17-6-4-16(5-7-17)21-19(23)14-20-13-18-3-2-12-24-18/h4-7,15,18,20H,2-3,8-14H2,1H3,(H,21,23).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide?
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide has a molecular weight of 331.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 108994306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).