2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide

C20H27ClN2O3 — CID 154874763

IUPAC2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide
SMILESCC1(CNC(=O)CCl)CCN(C(=O)CC2CCOc3ccccc32)CC1
InChIInChI=1S/C20H27ClN2O3/c1-20(14-22-18(24)13-21)7-9-23(10-8-20)19(25)12-15-6-11-26-17-5-3-2-4-16(15)17/h2-5,15H,6-14H2,1H3,(H,22,24)
InChIKeyHFEMFMIQGMHLJS-UHFFFAOYSA-N
MW378.90 g/mol
LogP2.93
Rot. Bonds5

About 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide

2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide (PubChem CID 154874763) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide
PubChem CID154874763
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide
SMILESCC1(CNC(=O)CCl)CCN(C(=O)CC2CCOc3ccccc32)CC1
InChIInChI=1S/C20H27ClN2O3/c1-20(14-22-18(24)13-21)7-9-23(10-8-20)19(25)12-15-6-11-26-17-5-3-2-4-16(15)17/h2-5,15H,6-14H2,1H3,(H,22,24)
InChIKeyHFEMFMIQGMHLJS-UHFFFAOYSA-N
XLogP2.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695266
(3S)-1-[2-[(4R)-3,4-dihydro-2H-chromen-4-yl]acetyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124695179
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6S)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317309
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanone
CID 97317308
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110680477
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
2-(3,4-dihydro-2H-chromen-4-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 110680431
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 126780755
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]ethanone
CID 100837733

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide (CID 154874763) is 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide is CC1(CNC(=O)CCl)CCN(C(=O)CC2CCOc3ccccc32)CC1.
What is the InChIKey of 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide?
The InChIKey is HFEMFMIQGMHLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-20(14-22-18(24)13-21)7-9-23(10-8-20)19(25)12-15-6-11-26-17-5-3-2-4-16(15)17/h2-5,15H,6-14H2,1H3,(H,22,24).
What are the key properties of 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide?
2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide has a molecular weight of 378.90 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[1-[2-(3,4-dihydro-2H-chromen-4-yl)acetyl]-4-methylpiperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 154874763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).