N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide

C22H36N2O3 — CID 119736423

IUPACN-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCCCCOc1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1OC
InChIInChI=1S/C22H36N2O3/c1-5-6-13-27-20-8-7-19(15-21(20)26-4)17(3)24-22(25)14-16(2)18-9-11-23-12-10-18/h7-8,15-18,23H,5-6,9-14H2,1-4H3,(H,24,25)
InChIKeyRLQWEUQPLGTYTH-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.08
Rot. Bonds10

About N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide

N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide (PubChem CID 119736423) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
PubChem CID119736423
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC NameN-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
SMILESCCCCOc1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1OC
InChIInChI=1S/C22H36N2O3/c1-5-6-13-27-20-8-7-19(15-21(20)26-4)17(3)24-22(25)14-16(2)18-9-11-23-12-10-18/h7-8,15-18,23H,5-6,9-14H2,1-4H3,(H,24,25)
InChIKeyRLQWEUQPLGTYTH-UHFFFAOYSA-N
XLogP4.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.08
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-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119721204
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[1-(3,4-dipropoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119270790
(2S)-2-amino-N-[1-(4-butoxy-3-methoxyphenyl)ethyl]propanamide
CID 119296501
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119936763
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 61166375
N-[1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119287478
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119693492

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide (CID 119736423) is N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide is CCCCOc1ccc(C(C)NC(=O)CC(C)C2CCNCC2)cc1OC.
What is the InChIKey of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
The InChIKey is RLQWEUQPLGTYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-5-6-13-27-20-8-7-19(15-21(20)26-4)17(3)24-22(25)14-16(2)18-9-11-23-12-10-18/h7-8,15-18,23H,5-6,9-14H2,1-4H3,(H,24,25).
What are the key properties of N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide?
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide has a molecular weight of 376.54 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119736423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).