1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide

C18H27N3O4 — CID 56808444

IUPAC1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCCOc1ccc(C(C)NC(=O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-4-25-15-6-5-14(11-16(15)24-3)12(2)20-18(23)21-9-7-13(8-10-21)17(19)22/h5-6,11-13H,4,7-10H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyZPJBTMHJKMAZDT-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.06
Rot. Bonds6

About 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide

1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide (PubChem CID 56808444) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
PubChem CID56808444
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
SMILESCCOc1ccc(C(C)NC(=O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C18H27N3O4/c1-4-25-15-6-5-14(11-16(15)24-3)12(2)20-18(23)21-9-7-13(8-10-21)17(19)22/h5-6,11-13H,4,7-10H2,1-3H3,(H2,19,22)(H,20,23)
InChIKeyZPJBTMHJKMAZDT-UHFFFAOYSA-N
XLogP2.06
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 94492379
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-4-(propylsulfonylamino)piperidine-1-carboxamide
CID 55683897
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551671
1-[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]piperidine-4-carboxamide
CID 30880354
1-N-[(1S)-1-(4-propan-2-ylsulfanylphenyl)ethyl]piperidine-1,4-dicarboxamide
CID 95347473
1-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]piperidine-1,4-dicarboxamide
CID 25469814
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 122560161
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
1-[2-[1-(2-ethoxy-5-methylphenyl)ethylamino]-2-oxoacetyl]piperidine-4-carboxamide
CID 108510642

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide (CID 56808444) is 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide is CCOc1ccc(C(C)NC(=O)N2CCC(C(N)=O)CC2)cc1OC.
What is the InChIKey of 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
The InChIKey is ZPJBTMHJKMAZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-4-25-15-6-5-14(11-16(15)24-3)12(2)20-18(23)21-9-7-13(8-10-21)17(19)22/h5-6,11-13H,4,7-10H2,1-3H3,(H2,19,22)(H,20,23).
What are the key properties of 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide?
1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide has a molecular weight of 349.43 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56808444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).