N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide

C23H35N3O2 — CID 113062418

IUPACN-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-18-12-15-25(16-13-18)21-8-10-22(11-9-21)26(19(2)27)17-14-24-23(28)20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeyAICWQJKNYXFLCE-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.97
Rot. Bonds6

About N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide

N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide (PubChem CID 113062418) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
PubChem CID113062418
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC NameN-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide
SMILESCC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C23H35N3O2/c1-18-12-15-25(16-13-18)21-8-10-22(11-9-21)26(19(2)27)17-14-24-23(28)20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,24,28)
InChIKeyAICWQJKNYXFLCE-UHFFFAOYSA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.97
H-Bond Donors ≤ 51
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-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclobutanecarboxamide
CID 113062438
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]-2-methylpropanamide
CID 113062414
tert-butyl N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]carbamate
CID 113062437
N-[2-(N-acetyl-4-tert-butylanilino)ethyl]cyclohexanecarboxamide
CID 113059086
3-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113132121
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]thiophene-2-carboxamide
CID 113062423
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]furan-2-carboxamide
CID 113062422
N-[2-(N,4-diacetylanilino)ethyl]cyclobutanecarboxamide
CID 113061690
N-[2-(N-acetyl-4-pyrrolidin-1-ylanilino)ethyl]propanamide
CID 113062300
N-[2-(N-acetyl-3,4-dichloroanilino)ethyl]cyclohexanecarboxamide
CID 113063535
N-[2-(N-acetyl-4-propan-2-yloxyanilino)ethyl]cyclobutanecarboxamide
CID 113061127
N-[2-(N-acetyl-4-piperidin-1-ylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113062385

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide (CID 113062418) is N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide is CC(=O)N(CCNC(=O)C1CCCCC1)c1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide?
The InChIKey is AICWQJKNYXFLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18-12-15-25(16-13-18)21-8-10-22(11-9-21)26(19(2)27)17-14-24-23(28)20-6-4-3-5-7-20/h8-11,18,20H,3-7,12-17H2,1-2H3,(H,24,28).
What are the key properties of N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide?
N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide has a molecular weight of 385.55 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-acetyl-4-(4-methylpiperidin-1-yl)anilino]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 113062418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).