N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide

C23H31N3O — CID 168753006

IUPACN-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
SMILESCCCC1CCN(c2ccc(Nc3ccc(CNC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-4-19-13-15-26(16-14-19)23-11-9-22(10-12-23)25-21-7-5-20(6-8-21)17-24-18(2)27/h5-12,19,25H,3-4,13-17H2,1-2H3,(H,24,27)
InChIKeyHQWHOXQTAOIMNW-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.08
Rot. Bonds7

About N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide

N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide (PubChem CID 168753006) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
PubChem CID168753006
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC NameN-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide
SMILESCCCC1CCN(c2ccc(Nc3ccc(CNC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C23H31N3O/c1-3-4-19-13-15-26(16-14-19)23-11-9-22(10-12-23)25-21-7-5-20(6-8-21)17-24-18(2)27/h5-12,19,25H,3-4,13-17H2,1-2H3,(H,24,27)
InChIKeyHQWHOXQTAOIMNW-UHFFFAOYSA-N
XLogP5.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.08
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

4-(4-propylpiperidin-1-yl)phenol
CID 165358736
2-ethoxy-N-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]propanamide
CID 110905358
5-oxo-N-[[4-[[2-(4-propylpiperidin-1-yl)pyrimidin-5-yl]amino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062227
N-[(4-anilinophenyl)methyl]acetamide
CID 11853463
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
1-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]-3-pentylurea
CID 110901067
N'-[[4-[4-(4,4-dimethylpiperidin-1-yl)anilino]phenyl]methyl]oxamide
CID 166062420
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-3,5-dioxopiperazine-1-carboxamide
CID 166062071
4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
CID 166062587
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-4-oxoimidazolidine-1-carboxamide
CID 170180087
1-(3-bromo-4-methylphenyl)-3-[[4-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methyl]urea
CID 78892734

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide (CID 168753006) is N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide is CCCC1CCN(c2ccc(Nc3ccc(CNC(C)=O)cc3)cc2)CC1.
What is the InChIKey of N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide?
The InChIKey is HQWHOXQTAOIMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-4-19-13-15-26(16-14-19)23-11-9-22(10-12-23)25-21-7-5-20(6-8-21)17-24-18(2)27/h5-12,19,25H,3-4,13-17H2,1-2H3,(H,24,27).
What are the key properties of N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide?
N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide has a molecular weight of 365.52 g/mol, XLogP of 5.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4-propylpiperidin-1-yl)anilino]phenyl]methyl]acetamide is sourced from PubChem (CID 168753006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).