N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide

C19H27N3O3 — CID 113000233

IUPACN-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)CNC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14-8-10-22(11-9-14)16-6-4-15(5-7-16)21-18(23)13-20-19(24)17-3-2-12-25-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyZYEFDUYBFULHJI-UHFFFAOYSA-N
MW345.44 g/mol
LogP2.16
Rot. Bonds5

About N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide

N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide (PubChem CID 113000233) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
PubChem CID113000233
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)CNC(=O)C3CCCO3)cc2)CC1
InChIInChI=1S/C19H27N3O3/c1-14-8-10-22(11-9-14)16-6-4-15(5-7-16)21-18(23)13-20-19(24)17-3-2-12-25-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,24)(H,21,23)
InChIKeyZYEFDUYBFULHJI-UHFFFAOYSA-N
XLogP2.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.16
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-[2-(4-methylanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 112996161
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994306
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696651
N-[2-(4-bromoanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 47309395
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
ethyl 4-[4-(oxolane-2-carbonylamino)phenyl]piperazine-1-carboxylate
CID 112984376
N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]oxolane-2-carboxamide
CID 84580144
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-[4-[[2-(methylamino)acetyl]amino]phenyl]oxolane-2-carboxamide
CID 119711447
2-(4-acetylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109009876
N-[2-(3,4-dichloroanilino)-2-oxoethyl]oxolane-2-carboxamide
CID 113001183

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide?
The IUPAC name of N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide (CID 113000233) is N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide is CC1CCN(c2ccc(NC(=O)CNC(=O)C3CCCO3)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide?
The InChIKey is ZYEFDUYBFULHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-8-10-22(11-9-14)16-6-4-15(5-7-16)21-18(23)13-20-19(24)17-3-2-12-25-17/h4-7,14,17H,2-3,8-13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide?
N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methylpiperidin-1-yl)anilino]-2-oxoethyl]oxolane-2-carboxamide is sourced from PubChem (CID 113000233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).