N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride

C19H31ClN2O3 — CID 119726878

IUPACN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-14-6-7-17(18(11-14)24-10-9-23-3)21-19(22)12-15(2)16-5-4-8-20-13-16;/h6-7,11,15-16,20H,4-5,8-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyVGVJFKLWXOUBDA-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.41
Rot. Bonds8

About N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride

N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119726878) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119726878
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCOc1cc(C)ccc1NC(=O)CC(C)C1CCCNC1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-14-6-7-17(18(11-14)24-10-9-23-3)21-19(22)12-15(2)16-5-4-8-20-13-16;/h6-7,11,15-16,20H,4-5,8-10,12-13H2,1-3H3,(H,21,22);1H
InChIKeyVGVJFKLWXOUBDA-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811297
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119726878) is N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride is COCCOc1cc(C)ccc1NC(=O)CC(C)C1CCCNC1.Cl.
What is the InChIKey of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is VGVJFKLWXOUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-14-6-7-17(18(11-14)24-10-9-23-3)21-19(22)12-15(2)16-5-4-8-20-13-16;/h6-7,11,15-16,20H,4-5,8-10,12-13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119726878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).