2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide

C23H31N3O — CID 55914592

IUPAC2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide
SMILESCC1CCN(c2ccc(NC(C(=O)NC(C)C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-17(2)24-23(27)22(19-7-5-4-6-8-19)25-20-9-11-21(12-10-20)26-15-13-18(3)14-16-26/h4-12,17-18,22,25H,13-16H2,1-3H3,(H,24,27)
InChIKeyOQEJYZKUSPDVSQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.60
Rot. Bonds6

About 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide

2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide (PubChem CID 55914592) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide
PubChem CID55914592
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide
SMILESCC1CCN(c2ccc(NC(C(=O)NC(C)C)c3ccccc3)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-17(2)24-23(27)22(19-7-5-4-6-8-19)25-20-9-11-21(12-10-20)26-15-13-18(3)14-16-26/h4-12,17-18,22,25H,13-16H2,1-3H3,(H,24,27)
InChIKeyOQEJYZKUSPDVSQ-UHFFFAOYSA-N
XLogP4.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-2,2-diphenylacetamide
CID 19629747
2-[3-[4-(cyclopropylmethyl)piperazin-1-yl]anilino]-2-phenyl-N-propan-2-ylacetamide
CID 47487849
2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
(2S)-N-(3-methoxyphenyl)-2-phenyl-2-(4-piperidin-1-ylanilino)acetamide
CID 25362284
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352661
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100688576
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
5-[(2-chloro-2-phenylacetyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 5158041
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25388633
N-[2-(methylamino)-2-oxo-1-phenylethyl]-4-pyrrolidin-1-ylbenzamide
CID 91782479
2-chloro-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzamide
CID 99994165
2-(methylamino)-1-[4-(4-methylpiperidin-1-yl)phenyl]propan-1-one
CID 83971788

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide (CID 55914592) is 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide is CC1CCN(c2ccc(NC(C(=O)NC(C)C)c3ccccc3)cc2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide?
The InChIKey is OQEJYZKUSPDVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-17(2)24-23(27)22(19-7-5-4-6-8-19)25-20-9-11-21(12-10-20)26-15-13-18(3)14-16-26/h4-12,17-18,22,25H,13-16H2,1-3H3,(H,24,27).
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide?
2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide has a molecular weight of 365.52 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylpiperidin-1-yl)anilino]-2-phenyl-N-propan-2-ylacetamide is sourced from PubChem (CID 55914592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).