2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride

C14H21ClIN3O — CID 119909750

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C14H20IN3O.ClH/c15-12-3-1-2-4-13(12)17-14(19)10-18-7-5-11(9-16)6-8-18;/h1-4,11H,5-10,16H2,(H,17,19);1H
InChIKeyXJFVMCZXLBFTNV-UHFFFAOYSA-N
MW409.70 g/mol
LogP2.32
Rot. Bonds4

About 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride

2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride (PubChem CID 119909750) has the molecular formula C14H21ClIN3O and a molecular weight of 409.70 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
PubChem CID119909750
Molecular FormulaC14H21ClIN3O
Molecular Weight409.70 g/mol
Exact Mass409.04
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
SMILESCl.NCC1CCN(CC(=O)Nc2ccccc2I)CC1
InChIInChI=1S/C14H20IN3O.ClH/c15-12-3-1-2-4-13(12)17-14(19)10-18-7-5-11(9-16)6-8-18;/h1-4,11H,5-10,16H2,(H,17,19);1H
InChIKeyXJFVMCZXLBFTNV-UHFFFAOYSA-N
XLogP2.32
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.70
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide
CID 63597290
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095
2-[2-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride
CID 119916158
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(2-iodophenyl)acetamide
CID 11940842
2-[4-(aminomethyl)piperidin-1-yl]-N-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-yl)acetamide;hydrochloride
CID 119909019
2-(4-aminopiperidin-1-yl)-N-(2-hydroxyphenyl)acetamide
CID 79327429
2-[4-(aminomethyl)piperidin-1-yl]-N-(4-bromo-2-fluorophenyl)acetamide;hydrochloride
CID 119909893
N-(2-iodophenyl)-2-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 86959463
N-(2-iodophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 34725182
2-(4-benzoylpiperazin-1-yl)-N-(2-iodophenyl)acetamide
CID 31375804
2-[[2-[4-(hydroxymethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 60968756
N-(3-ethoxypropyl)-1-[2-(2-iodoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55663286

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride (CID 119909750) is 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride is Cl.NCC1CCN(CC(=O)Nc2ccccc2I)CC1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride?
The InChIKey is XJFVMCZXLBFTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20IN3O.ClH/c15-12-3-1-2-4-13(12)17-14(19)10-18-7-5-11(9-16)6-8-18;/h1-4,11H,5-10,16H2,(H,17,19);1H.
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride?
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride has a molecular weight of 409.70 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-N-(2-iodophenyl)acetamide;hydrochloride is sourced from PubChem (CID 119909750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).