4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide

C22H34N2O3 — CID 126770005

IUPAC4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)N2CCC(OCC3CCCO3)CC2)c(C)c1
InChIInChI=1S/C22H34N2O3/c1-16-13-17(2)21(18(3)14-16)6-9-23-22(25)24-10-7-19(8-11-24)27-15-20-5-4-12-26-20/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)
InChIKeyMNRNTXNCGUQGRS-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.52
Rot. Bonds6

About 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide

4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide (PubChem CID 126770005) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
PubChem CID126770005
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Name4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
SMILESCc1cc(C)c(CCNC(=O)N2CCC(OCC3CCCO3)CC2)c(C)c1
InChIInChI=1S/C22H34N2O3/c1-16-13-17(2)21(18(3)14-16)6-9-23-22(25)24-10-7-19(8-11-24)27-15-20-5-4-12-26-20/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25)
InChIKeyMNRNTXNCGUQGRS-UHFFFAOYSA-N
XLogP3.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 97082363
N-[2-(3,5-dichlorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449783
N-[2-(3,5-dimethylphenoxy)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109447975
N-(2,4-dimethylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]acetamide
CID 71859833
N-[2-(3,5-difluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide;hydroiodide
CID 109449754
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine-1-carboxamide
CID 96515474
2-[ethyl(oxolan-2-ylmethyl)amino]-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 86953224
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide
CID 94801111
5-[4-(oxolan-2-ylmethoxy)piperidine-1-carbonyl]furan-3-carboxylic acid
CID 154752669
N,N-dimethyl-3-[2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]ethyl]benzamide;hydroiodide
CID 109448746
N-[2-(2-chloro-6-fluorophenyl)ethyl]-N'-methyl-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109449159
N'-methyl-N-[(4-methylphenyl)methyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450151

Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide (CID 126770005) is 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide is Cc1cc(C)c(CCNC(=O)N2CCC(OCC3CCCO3)CC2)c(C)c1.
What is the InChIKey of 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
The InChIKey is MNRNTXNCGUQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16-13-17(2)21(18(3)14-16)6-9-23-22(25)24-10-7-19(8-11-24)27-15-20-5-4-12-26-20/h13-14,19-20H,4-12,15H2,1-3H3,(H,23,25).
What are the key properties of 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide?
4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethoxy)-N-[2-(2,4,6-trimethylphenyl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126770005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).