N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide

C19H30N2O4 — CID 119786413

IUPACN-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
SMILESCCOc1cc(CCCNC(=O)C2(OC)CCNCC2)ccc1OC
InChIInChI=1S/C19H30N2O4/c1-4-25-17-14-15(7-8-16(17)23-2)6-5-11-21-18(22)19(24-3)9-12-20-13-10-19/h7-8,14,20H,4-6,9-13H2,1-3H3,(H,21,22)
InChIKeyCBBRKJVNPCQDQB-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.91
Rot. Bonds9

About N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide

N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119786413) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119786413
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide
SMILESCCOc1cc(CCCNC(=O)C2(OC)CCNCC2)ccc1OC
InChIInChI=1S/C19H30N2O4/c1-4-25-17-14-15(7-8-16(17)23-2)6-5-11-21-18(22)19(24-3)9-12-20-13-10-19/h7-8,14,20H,4-6,9-13H2,1-3H3,(H,21,22)
InChIKeyCBBRKJVNPCQDQB-UHFFFAOYSA-N
XLogP1.91
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.91
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-[2-(3,4-diethoxyphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119677415
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119714589
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]morpholine-2-carboxamide;hydrochloride
CID 119786416
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]oxetane-2-carboxamide
CID 75392355
cis-(1S,2R)-2-[3-(3-ethoxy-4-methoxyphenyl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150507
2-(3-ethoxy-4-methoxyphenyl)ethylcarbamic acid
CID 16638088
2-[(3,4-dimethoxyphenyl)methyl]-1-[3-(3-ethoxy-4-methoxyphenyl)propyl]guanidine
CID 111812363
4-methoxy-N-[2-(4-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 119694181
N-[3-(3,4-dimethylphenyl)propyl]-2-(4-ethoxy-3-methoxyphenyl)acetamide
CID 143080123
3-(4-ethoxy-3-methoxyphenyl)-N-methylpropan-1-amine
CID 116989176
2-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-phenylpropanamide
CID 120592359
5-amino-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-2-methylbenzamide;hydrochloride
CID 120633106

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide (CID 119786413) is N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide is CCOc1cc(CCCNC(=O)C2(OC)CCNCC2)ccc1OC.
What is the InChIKey of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is CBBRKJVNPCQDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-4-25-17-14-15(7-8-16(17)23-2)6-5-11-21-18(22)19(24-3)9-12-20-13-10-19/h7-8,14,20H,4-6,9-13H2,1-3H3,(H,21,22).
What are the key properties of N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119786413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).