N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide

C18H28N2O3 — CID 109014538

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(OCCNC(=O)CCN2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-15-7-11-20(12-8-15)13-9-18(21)19-10-14-23-17-5-3-16(22-2)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,19,21)
InChIKeyKXWXTNUAJNICPO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.31
Rot. Bonds8

About N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide

N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide (PubChem CID 109014538) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
PubChem CID109014538
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide
SMILESCOc1ccc(OCCNC(=O)CCN2CCC(C)CC2)cc1
InChIInChI=1S/C18H28N2O3/c1-15-7-11-20(12-8-15)13-9-18(21)19-10-14-23-17-5-3-16(22-2)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,19,21)
InChIKeyKXWXTNUAJNICPO-UHFFFAOYSA-N
XLogP2.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031021
N-[(4-methoxyphenyl)methyl]-3-(4-methylpiperidin-1-yl)propanamide
CID 109014498
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 109030502
N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide;oxalic acid
CID 171154568
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 55521788
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
1-[2-(4-methoxyphenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046333
N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 46434634
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
N-butyl-3-(4-methylpiperidin-1-yl)propanamide
CID 109012179
4-(4-methoxyphenoxy)-N-(1-propylpiperidin-4-yl)butanamide
CID 86907108

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide (CID 109014538) is N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide is COc1ccc(OCCNC(=O)CCN2CCC(C)CC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide?
The InChIKey is KXWXTNUAJNICPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-15-7-11-20(12-8-15)13-9-18(21)19-10-14-23-17-5-3-16(22-2)4-6-17/h3-6,15H,7-14H2,1-2H3,(H,19,21).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide has a molecular weight of 320.43 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109014538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).