N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

C17H26N2O3 — CID 120630241

IUPACN-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOCc1cccc(NC(=O)C2(COC)CCNCC2)c1
InChIInChI=1S/C17H26N2O3/c1-3-22-12-14-5-4-6-15(11-14)19-16(20)17(13-21-2)7-9-18-10-8-17/h4-6,11,18H,3,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyUSTUBDIBHSNEHJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.18
Rot. Bonds7

About N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide

N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120630241) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120630241
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCOCc1cccc(NC(=O)C2(COC)CCNCC2)c1
InChIInChI=1S/C17H26N2O3/c1-3-22-12-14-5-4-6-15(11-14)19-16(20)17(13-21-2)7-9-18-10-8-17/h4-6,11,18H,3,7-10,12-13H2,1-2H3,(H,19,20)
InChIKeyUSTUBDIBHSNEHJ-UHFFFAOYSA-N
XLogP2.18
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]piperidine-4-carboxamide
CID 120626262
4-(methoxymethyl)-N-[3-(2-propan-2-yloxyethoxymethyl)phenyl]piperidine-4-carboxamide
CID 120626246
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619753
N-(3-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120622758
4-(methoxymethyl)-N-[3-(thiomorpholin-4-ylmethyl)phenyl]piperidine-4-carboxamide
CID 120645739
N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
4-(methoxymethyl)-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120626279
N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120645907
N-[3-(difluoromethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630102
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide (CID 120630241) is N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is CCOCc1cccc(NC(=O)C2(COC)CCNCC2)c1.
What is the InChIKey of N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is USTUBDIBHSNEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-22-12-14-5-4-6-15(11-14)19-16(20)17(13-21-2)7-9-18-10-8-17/h4-6,11,18H,3,7-10,12-13H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide?
N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120630241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).