N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide

C16H24ClN3O — CID 63848226

IUPACN-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCNCC1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-18-11-13-6-8-20(9-7-13)12-16(21)19-15-5-3-4-14(17)10-15/h3-5,10,13,18H,2,6-9,11-12H2,1H3,(H,19,21)
InChIKeyQCQXKUAUIWIMOH-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.60
Rot. Bonds6

About N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (PubChem CID 63848226) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
PubChem CID63848226
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
SMILESCCNCC1CCN(CC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-2-18-11-13-6-8-20(9-7-13)12-16(21)19-15-5-3-4-14(17)10-15/h3-5,10,13,18H,2,6-9,11-12H2,1H3,(H,19,21)
InChIKeyQCQXKUAUIWIMOH-UHFFFAOYSA-N
XLogP2.60
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3-chloroanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611325
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(3-fluorophenyl)acetamide;hydrochloride
CID 119928163
N-(3-chlorophenyl)-2-[4-(cyclopropylmethylamino)piperidin-1-yl]acetamide
CID 119926822
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-[(3S)-3-aminopyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119933944
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(2,4,6-trichlorophenyl)acetamide;hydrochloride
CID 119928016
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-[4-(ethylaminomethyl)piperidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 119927919
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-chlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545829
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide (CID 63848226) is N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is CCNCC1CCN(CC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
The InChIKey is QCQXKUAUIWIMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-18-11-13-6-8-20(9-7-13)12-16(21)19-15-5-3-4-14(17)10-15/h3-5,10,13,18H,2,6-9,11-12H2,1H3,(H,19,21).
What are the key properties of N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 63848226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).