N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide

C19H30ClN3O — CID 119832286

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(c1ccccc1Cl)N(C)C)C1CCNCC1
InChIInChI=1S/C19H30ClN3O/c1-14(15-8-10-21-11-9-15)12-19(24)22-13-18(23(2)3)16-6-4-5-7-17(16)20/h4-7,14-15,18,21H,8-13H2,1-3H3,(H,22,24)
InChIKeyYHPJBZBBTJTZOZ-UHFFFAOYSA-N
MW351.92 g/mol
LogP3.08
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119832286) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119832286
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCC(c1ccccc1Cl)N(C)C)C1CCNCC1
InChIInChI=1S/C19H30ClN3O/c1-14(15-8-10-21-11-9-15)12-19(24)22-13-18(23(2)3)16-6-4-5-7-17(16)20/h4-7,14-15,18,21H,8-13H2,1-3H3,(H,22,24)
InChIKeyYHPJBZBBTJTZOZ-UHFFFAOYSA-N
XLogP3.08
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-piperidin-4-ylbutanamide
CID 119830049
N-[2-(N-methylanilino)propyl]-3-piperidin-4-ylbutanamide
CID 119850601
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119850674
N-[2-(2-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119725486
N-[2-(2-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705416
2-chloro-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide
CID 119703578
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119719399
N-[2-(diethylamino)-3-phenylpropyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119849977
N-[2-(4-chlorophenoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119804655
N-[2-(2,3-dichlorophenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119736274

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide (CID 119832286) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCC(c1ccccc1Cl)N(C)C)C1CCNCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is YHPJBZBBTJTZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/c1-14(15-8-10-21-11-9-15)12-19(24)22-13-18(23(2)3)16-6-4-5-7-17(16)20/h4-7,14-15,18,21H,8-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 351.92 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119832286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).