N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride

C19H29Cl2FN2O2 — CID 119778587

IUPACN-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H28ClFN2O2.ClH/c1-14(15-4-3-7-22-12-15)10-19(24)23(8-9-25-2)13-16-5-6-17(21)11-18(16)20;/h5-6,11,14-15,22H,3-4,7-10,12-13H2,1-2H3;1H
InChIKeyXYWZRWVTTJYRPT-UHFFFAOYSA-N
MW407.36 g/mol
LogP3.90
Rot. Bonds8

About N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119778587) has the molecular formula C19H29Cl2FN2O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119778587
Molecular FormulaC19H29Cl2FN2O2
Molecular Weight407.36 g/mol
Exact Mass406.16
IUPAC NameN-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCN(Cc1ccc(F)cc1Cl)C(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H28ClFN2O2.ClH/c1-14(15-4-3-7-22-12-15)10-19(24)23(8-9-25-2)13-16-5-6-17(21)11-18(16)20;/h5-6,11,14-15,22H,3-4,7-10,12-13H2,1-2H3;1H
InChIKeyXYWZRWVTTJYRPT-UHFFFAOYSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119681552
N-(2-methoxyethyl)-N-(3-phenylpropyl)-3-piperidin-3-ylbutanamide
CID 119756066
4-amino-N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)pentanamide
CID 120562459
N-[(2-chloro-4-fluorophenyl)methyl]-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119778590
N-[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-3-yl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119884069
N-cyclopropyl-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide
CID 81043582
N-ethyl-N-(4-fluorophenyl)-3-piperidin-3-ylbutanamide
CID 81048284
N-[(4-fluorophenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 81049753
1-(2-bromo-4-fluorophenyl)-4-piperidin-3-ylpentan-2-one
CID 116594286
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119694366
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119685027
N-(1-methoxypropan-2-yl)-N-methyl-3-piperidin-3-ylbutanamide
CID 81043666

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119778587) is N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride is COCCN(Cc1ccc(F)cc1Cl)C(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XYWZRWVTTJYRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClFN2O2.ClH/c1-14(15-4-3-7-22-12-15)10-19(24)23(8-9-25-2)13-16-5-6-17(21)11-18(16)20;/h5-6,11,14-15,22H,3-4,7-10,12-13H2,1-2H3;1H.
What are the key properties of N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 407.36 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-fluorophenyl)methyl]-N-(2-methoxyethyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119778587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).