N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide

C17H24ClN3O2 — CID 119491794

IUPACN-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCNC1CCCN(C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-12(22)20-16(13-5-7-14(18)8-6-13)10-17(23)21-9-3-4-15(11-21)19-2/h5-8,15-16,19H,3-4,9-11H2,1-2H3,(H,20,22)
InChIKeyODCXORHRTAEBLK-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.12
Rot. Bonds5

About N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide

N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide (PubChem CID 119491794) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
PubChem CID119491794
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
SMILESCNC1CCCN(C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-12(22)20-16(13-5-7-14(18)8-6-13)10-17(23)21-9-3-4-15(11-21)19-2/h5-8,15-16,19H,3-4,9-11H2,1-2H3,(H,20,22)
InChIKeyODCXORHRTAEBLK-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-acetamido-3-(4-chlorophenyl)propanoyl]-N-butylpiperidine-3-carboxamide
CID 49407372
N-[1-(4-chlorophenyl)-3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119545597
N-[3-[3-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 119490077
N-[1-(3-chlorophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 110676816
N-[1-(2-ethoxyphenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide
CID 119489700
(2S)-1-[3-acetamido-3-(4-chlorophenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365109
N-[1-(4-chlorophenyl)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 55902543
2-[(2R)-4-[(3S)-3-acetamido-3-(4-chlorophenyl)propanoyl]morpholin-2-yl]acetic acid
CID 125132677
N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 36940029
(3S)-1-[3-acetamido-3-(4-bromophenyl)propanoyl]piperidine-3-carboxylic acid
CID 120514247
N-[1-(4-bromophenyl)-3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]acetamide;hydrochloride
CID 119398231
2-(4-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535016

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide (CID 119491794) is N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide is CNC1CCCN(C(=O)CC(NC(C)=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is ODCXORHRTAEBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-12(22)20-16(13-5-7-14(18)8-6-13)10-17(23)21-9-3-4-15(11-21)19-2/h5-8,15-16,19H,3-4,9-11H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide?
N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 337.85 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)-3-[3-(methylamino)piperidin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 119491794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).