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

C19H31ClN2O4 — CID 119723367

IUPACN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCOc1cc(NC(=O)CC(C)C2CCCNC2)ccc1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-14(15-5-4-8-20-13-15)11-19(22)21-16-6-7-17(24-3)18(12-16)25-10-9-23-2;/h6-7,12,14-15,20H,4-5,8-11,13H2,1-3H3,(H,21,22);1H
InChIKeyZDJVNHQVKFWUAR-UHFFFAOYSA-N
MW386.92 g/mol
LogP3.11
Rot. Bonds9

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

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119723367) has the molecular formula C19H31ClN2O4 and a molecular weight of 386.92 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119723367
Molecular FormulaC19H31ClN2O4
Molecular Weight386.92 g/mol
Exact Mass386.20
IUPAC NameN-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCOCCOc1cc(NC(=O)CC(C)C2CCCNC2)ccc1OC.Cl
InChIInChI=1S/C19H30N2O4.ClH/c1-14(15-5-4-8-20-13-15)11-19(22)21-16-6-7-17(24-3)18(12-16)25-10-9-23-2;/h6-7,12,14-15,20H,4-5,8-11,13H2,1-3H3,(H,21,22);1H
InChIKeyZDJVNHQVKFWUAR-UHFFFAOYSA-N
XLogP3.11
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119779708
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717532
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119715055
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride (CID 119723367) is N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is COCCOc1cc(NC(=O)CC(C)C2CCCNC2)ccc1OC.Cl.
What is the InChIKey of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is ZDJVNHQVKFWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4.ClH/c1-14(15-5-4-8-20-13-15)11-19(22)21-16-6-7-17(24-3)18(12-16)25-10-9-23-2;/h6-7,12,14-15,20H,4-5,8-11,13H2,1-3H3,(H,21,22);1H.
What are the key properties of N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride?
N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119723367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).