2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide

C19H31N3O — CID 119898863

IUPAC2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)CCN1CCC(CNC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C19H31N3O/c1-15(2)7-10-22-11-8-17(9-12-22)14-21-19(23)13-16-3-5-18(20)6-4-16/h3-6,15,17H,7-14,20H2,1-2H3,(H,21,23)
InChIKeyOFNVNEBHVRYOPO-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.69
Rot. Bonds7

About 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide

2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide (PubChem CID 119898863) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
PubChem CID119898863
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
SMILESCC(C)CCN1CCC(CNC(=O)Cc2ccc(N)cc2)CC1
InChIInChI=1S/C19H31N3O/c1-15(2)7-10-22-11-8-17(9-12-22)14-21-19(23)13-16-3-5-18(20)6-4-16/h3-6,15,17H,7-14,20H2,1-2H3,(H,21,23)
InChIKeyOFNVNEBHVRYOPO-UHFFFAOYSA-N
XLogP2.69
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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LY 188544
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N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10862359
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide (CID 119898863) is 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide is CC(C)CCN1CCC(CNC(=O)Cc2ccc(N)cc2)CC1.
What is the InChIKey of 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is OFNVNEBHVRYOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15(2)7-10-22-11-8-17(9-12-22)14-21-19(23)13-16-3-5-18(20)6-4-16/h3-6,15,17H,7-14,20H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide?
2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 317.48 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 119898863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).