2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide

C14H22N4O — CID 66416889

IUPAC2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2ccccc2N)CC1
InChIInChI=1S/C14H22N4O/c15-13-4-2-1-3-11(13)9-17-12-5-7-18(8-6-12)10-14(16)19/h1-4,12,17H,5-10,15H2,(H2,16,19)
InChIKeyTXCVYKUXKXYSGH-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.31
Rot. Bonds5

About 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide

2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide (PubChem CID 66416889) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
PubChem CID66416889
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCC(NCc2ccccc2N)CC1
InChIInChI=1S/C14H22N4O/c15-13-4-2-1-3-11(13)9-17-12-5-7-18(8-6-12)10-14(16)19/h1-4,12,17H,5-10,15H2,(H2,16,19)
InChIKeyTXCVYKUXKXYSGH-UHFFFAOYSA-N
XLogP0.31
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(3-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 115695785
2-[4-[(3-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 115951528
2-[4-(1H-indol-3-ylmethylamino)piperidin-1-yl]acetamide
CID 62330627
2-[4-[(2,4,5-trifluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 103792489
2-[4-[(3-aminothiophen-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66387166
2-[4-[(4-chloro-2-fluorophenyl)methylamino]piperidin-1-yl]acetamide
CID 114841998
2-[4-(1-benzofuran-2-ylmethylamino)piperidin-1-yl]acetamide
CID 43433116
2-[4-[(5-fluoro-2-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 103948078
4-[[[1-(2-amino-2-oxoethyl)piperidin-4-yl]amino]methyl]benzoic acid
CID 65347580
2-[4-[(1-methylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 62132229
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
N-[(2-aminophenyl)methyl]cyclooctanamine
CID 66385631

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide?
The IUPAC name of 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide (CID 66416889) is 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide is NC(=O)CN1CCC(NCc2ccccc2N)CC1.
What is the InChIKey of 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide?
The InChIKey is TXCVYKUXKXYSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c15-13-4-2-1-3-11(13)9-17-12-5-7-18(8-6-12)10-14(16)19/h1-4,12,17H,5-10,15H2,(H2,16,19).
What are the key properties of 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide?
2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide has a molecular weight of 262.36 g/mol, XLogP of 0.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-aminophenyl)methylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 66416889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).