N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide

C15H19IN2O2 — CID 47042290

IUPACN-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H19IN2O2/c1-11(19)17-10-12-6-8-18(9-7-12)15(20)13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3,(H,17,19)
InChIKeyMZUCYTLUVVZWTR-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.28
Rot. Bonds3

About N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide

N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide (PubChem CID 47042290) has the molecular formula C15H19IN2O2 and a molecular weight of 386.23 g/mol. Its IUPAC name is N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
PubChem CID47042290
Molecular FormulaC15H19IN2O2
Molecular Weight386.23 g/mol
Exact Mass386.05
IUPAC NameN-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1CCN(C(=O)c2ccccc2I)CC1
InChIInChI=1S/C15H19IN2O2/c1-11(19)17-10-12-6-8-18(9-7-12)15(20)13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3,(H,17,19)
InChIKeyMZUCYTLUVVZWTR-UHFFFAOYSA-N
XLogP2.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-iodophenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119544013
N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
CID 55844259
2,2,2-trifluoro-N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide
CID 108932663
(2-iodophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63980357
N-[[1-(3-bromo-2-fluorobenzoyl)piperidin-4-yl]methyl]acetamide
CID 106544352
N-[2-[4-(acetamidomethyl)piperidine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
CID 136578590
(2-iodophenyl)-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 61245242
N-[[1-(2-amino-5-bromobenzoyl)piperidin-4-yl]methyl]acetamide
CID 102736730
N-[[1-(2-fluoro-5-sulfanylbenzoyl)piperidin-4-yl]methyl]acetamide
CID 107036683
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
N-[[1-(3,4-dihydroxybenzoyl)piperidin-4-yl]methyl]acetamide
CID 103956700
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carbothioamide
CID 75416071

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide (CID 47042290) is N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide is CC(=O)NCC1CCN(C(=O)c2ccccc2I)CC1.
What is the InChIKey of N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is MZUCYTLUVVZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O2/c1-11(19)17-10-12-6-8-18(9-7-12)15(20)13-4-2-3-5-14(13)16/h2-5,12H,6-10H2,1H3,(H,17,19).
What are the key properties of N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide?
N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 386.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-iodobenzoyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 47042290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).