4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide

C21H32N2O4 — CID 120625704

IUPAC4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)CCNCC1
InChIInChI=1S/C21H32N2O4/c1-25-16-21(7-11-22-12-8-21)19(24)23-15-20(9-13-27-14-10-20)17-3-5-18(26-2)6-4-17/h3-6,22H,7-16H2,1-2H3,(H,23,24)
InChIKeyHIPRZKYMYLOUJY-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.88
Rot. Bonds7

About 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide (PubChem CID 120625704) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
PubChem CID120625704
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)CCNCC1
InChIInChI=1S/C21H32N2O4/c1-25-16-21(7-11-22-12-8-21)19(24)23-15-20(9-13-27-14-10-20)17-3-5-18(26-2)6-4-17/h3-6,22H,7-16H2,1-2H3,(H,23,24)
InChIKeyHIPRZKYMYLOUJY-UHFFFAOYSA-N
XLogP1.88
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methoxymethyl)-N-[(4-phenyloxan-4-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120623338
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120619191
1-(4-methoxyphenyl)-3-[[4-(4-methylphenyl)oxan-4-yl]methyl]urea
CID 75538687
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626
5-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]furan-2-carboxamide
CID 86836755
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
4-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 40617546
1-(2-fluorophenyl)-3-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]urea
CID 47071711
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-N'-(4-methoxyphenyl)oxamide
CID 27453070
N'-(4-fluorophenyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]oxamide
CID 23606974
4-(methoxymethyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]piperidine-4-carboxamide
CID 120645450

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide (CID 120625704) is 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide is COCC1(C(=O)NCC2(c3ccc(OC)cc3)CCOCC2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
The InChIKey is HIPRZKYMYLOUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-25-16-21(7-11-22-12-8-21)19(24)23-15-20(9-13-27-14-10-20)17-3-5-18(26-2)6-4-17/h3-6,22H,7-16H2,1-2H3,(H,23,24).
What are the key properties of 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 120625704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).