1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide

C19H30N2O2 — CID 43918618

IUPAC1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)N(CC)CC)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-4-21(5-2)19(22)17-10-12-20(13-11-17)15-16-8-7-9-18(14-16)23-6-3/h7-9,14,17H,4-6,10-13,15H2,1-3H3
InChIKeyGLBQBLPZVFVPEF-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.17
Rot. Bonds7

About 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide

1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide (PubChem CID 43918618) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
PubChem CID43918618
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)N(CC)CC)CC2)c1
InChIInChI=1S/C19H30N2O2/c1-4-21(5-2)19(22)17-10-12-20(13-11-17)15-16-8-7-9-18(14-16)23-6-3/h7-9,14,17H,4-6,10-13,15H2,1-3H3
InChIKeyGLBQBLPZVFVPEF-UHFFFAOYSA-N
XLogP3.17
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 44828320
1-[(3-ethoxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 65066222
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3545948
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
ethyl 4-[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 43920601
2-[1-[(3-ethoxyphenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065761
N-benzyl-N-butyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328501
N-(3,5-dimethylphenyl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43919237
N-benzyl-N-methyl-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1076502
N-benzyl-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N-ethylpiperidine-4-carboxamide
CID 3589734
1-[(3-butoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4544564
1-[(3-ethoxyphenyl)methyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 43923975

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide (CID 43918618) is 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide is CCOc1cccc(CN2CCC(C(=O)N(CC)CC)CC2)c1.
What is the InChIKey of 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is GLBQBLPZVFVPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-21(5-2)19(22)17-10-12-20(13-11-17)15-16-8-7-9-18(14-16)23-6-3/h7-9,14,17H,4-6,10-13,15H2,1-3H3.
What are the key properties of 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide?
1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 318.46 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 43918618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).