N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide

C20H32N2O3 — CID 119715055

IUPACN-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C20H32N2O3/c1-4-5-11-25-19-9-8-17(24-3)13-18(19)22-20(23)12-15(2)16-7-6-10-21-14-16/h8-9,13,15-16,21H,4-7,10-12,14H2,1-3H3,(H,22,23)
InChIKeyWNOZVSFGBUUOED-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.84
Rot. Bonds9

About N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide

N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide (PubChem CID 119715055) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
PubChem CID119715055
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC NameN-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide
SMILESCCCCOc1ccc(OC)cc1NC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C20H32N2O3/c1-4-5-11-25-19-9-8-17(24-3)13-18(19)22-20(23)12-15(2)16-7-6-10-21-14-16/h8-9,13,15-16,21H,4-7,10-12,14H2,1-3H3,(H,22,23)
InChIKeyWNOZVSFGBUUOED-UHFFFAOYSA-N
XLogP3.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.84
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

(3S)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775759
(3R)-N-[2-(difluoromethoxy)-5-methoxyphenyl]-3-[(3R)-piperidin-3-yl]butanamide
CID 99775760
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119744019
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
N-[2-(2-methoxyethoxy)-4-methylphenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119726878
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-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705612
N-(4-chloro-2-ethoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119808234

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide (CID 119715055) is N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide is CCCCOc1ccc(OC)cc1NC(=O)CC(C)C1CCCNC1.
What is the InChIKey of N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide?
The InChIKey is WNOZVSFGBUUOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-4-5-11-25-19-9-8-17(24-3)13-18(19)22-20(23)12-15(2)16-7-6-10-21-14-16/h8-9,13,15-16,21H,4-7,10-12,14H2,1-3H3,(H,22,23).
What are the key properties of N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide?
N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide has a molecular weight of 348.49 g/mol, XLogP of 3.84, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxy-5-methoxyphenyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119715055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).