N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide

C18H28N2O3 — CID 120624362

IUPACN-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)C2(COC)CCNCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-4-14(2)23-16-7-5-15(6-8-16)20-17(21)18(13-22-3)9-11-19-12-10-18/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,21)
InChIKeyQKBYHTGZTAMOFX-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.82
Rot. Bonds7

About N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide

N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide (PubChem CID 120624362) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
PubChem CID120624362
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
SMILESCCC(C)Oc1ccc(NC(=O)C2(COC)CCNCC2)cc1
InChIInChI=1S/C18H28N2O3/c1-4-14(2)23-16-7-5-15(6-8-16)20-17(21)18(13-22-3)9-11-19-12-10-18/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,21)
InChIKeyQKBYHTGZTAMOFX-UHFFFAOYSA-N
XLogP2.82
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626
N-(4-butan-2-yloxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 133245841
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 120631273
N-[2-(4-fluorophenoxy)propyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120636214
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
N-[4-(cyclohexylmethoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120629418

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide (CID 120624362) is N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide is CCC(C)Oc1ccc(NC(=O)C2(COC)CCNCC2)cc1.
What is the InChIKey of N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
The InChIKey is QKBYHTGZTAMOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-4-14(2)23-16-7-5-15(6-8-16)20-17(21)18(13-22-3)9-11-19-12-10-18/h5-8,14,19H,4,9-13H2,1-3H3,(H,20,21).
What are the key properties of N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide?
N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide has a molecular weight of 320.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-yloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide is sourced from PubChem (CID 120624362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).