4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide

C18H26ClN3O2 — CID 119647961

IUPAC4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCNCC1CCN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-20-12-14-8-10-22(11-9-14)18(24)13(2)21-17(23)15-4-6-16(19)7-5-15/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,21,23)
InChIKeyPRLPUADFPHJGNM-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.31
Rot. Bonds6

About 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide

4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide (PubChem CID 119647961) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
PubChem CID119647961
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
SMILESCCNCC1CCN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-20-12-14-8-10-22(11-9-14)18(24)13(2)21-17(23)15-4-6-16(19)7-5-15/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,21,23)
InChIKeyPRLPUADFPHJGNM-UHFFFAOYSA-N
XLogP2.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
4-chloro-N-[3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119542592
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
CID 119645429
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119664374
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 119372812
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119645390
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 136515348
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 119580374
2-(3,5-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]propan-1-one
CID 119647802
4-chloro-N-[3-methyl-1-[4-(methylamino)piperidin-1-yl]-1-oxopentan-2-yl]benzamide;hydrochloride
CID 119559694

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide (CID 119647961) is 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide is CCNCC1CCN(C(=O)C(C)NC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
The InChIKey is PRLPUADFPHJGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-20-12-14-8-10-22(11-9-14)18(24)13(2)21-17(23)15-4-6-16(19)7-5-15/h4-7,13-14,20H,3,8-12H2,1-2H3,(H,21,23).
What are the key properties of 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide?
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide has a molecular weight of 351.88 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 119647961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).