2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide

C17H27N3O — CID 65228931

IUPAC2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-14(12-18)17(21)19-15-4-6-16(7-5-15)20-10-8-13(2)9-11-20/h4-7,13-14H,3,8-12,18H2,1-2H3,(H,19,21)
InChIKeyBPDSVVSHMCVSQR-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.85
Rot. Bonds5

About 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide

2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide (PubChem CID 65228931) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
PubChem CID65228931
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-14(12-18)17(21)19-15-4-6-16(7-5-15)20-10-8-13(2)9-11-20/h4-7,13-14H,3,8-12,18H2,1-2H3,(H,19,21)
InChIKeyBPDSVVSHMCVSQR-UHFFFAOYSA-N
XLogP2.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.85
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

2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 60719278
(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 107569286
2-(aminomethyl)-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106911773
N-[4-(4-methylpiperidin-1-yl)phenyl]-2,2-diphenylacetamide
CID 19629747
2-(aminomethyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 65225875
2-(aminomethyl)-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 65225572
2-(aminomethyl)-N-(4-iodophenyl)butanamide
CID 65225745
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 60668633
N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)acetamide
CID 60672154
N-(4-methylphenyl)-N'-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108986754
2-ethyl-N-[4-(2-methylmorpholin-4-yl)phenyl]butanamide
CID 110637243
2-(aminomethyl)-N-[4-(methylcarbamoylamino)phenyl]butanamide
CID 65225076

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide (CID 65228931) is 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide is CCC(CN)C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
The InChIKey is BPDSVVSHMCVSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-14(12-18)17(21)19-15-4-6-16(7-5-15)20-10-8-13(2)9-11-20/h4-7,13-14H,3,8-12,18H2,1-2H3,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide?
2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]butanamide is sourced from PubChem (CID 65228931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).