N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

C24H35N3O2 — CID 45175393

IUPACN-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1CCN1CCCC(CN(C)C(=O)c2cc(CC(C)C)on2)C1
InChIInChI=1S/C24H35N3O2/c1-18(2)14-22-15-23(25-29-22)24(28)26(4)16-20-9-7-12-27(17-20)13-11-21-10-6-5-8-19(21)3/h5-6,8,10,15,18,20H,7,9,11-14,16-17H2,1-4H3
InChIKeyQMHOGGVLZNBITA-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.21
Rot. Bonds8

About N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide

N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 45175393) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID45175393
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC NameN-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1CCN1CCCC(CN(C)C(=O)c2cc(CC(C)C)on2)C1
InChIInChI=1S/C24H35N3O2/c1-18(2)14-22-15-23(25-29-22)24(28)26(4)16-20-9-7-12-27(17-20)13-11-21-10-6-5-8-19(21)3/h5-6,8,10,15,18,20H,7,9,11-14,16-17H2,1-4H3
InChIKeyQMHOGGVLZNBITA-UHFFFAOYSA-N
XLogP4.21
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-1,3-thiazole-5-carboxamide
CID 42595998
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 42557349
N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-pyridin-2-ylacetamide
CID 42292864
1-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-2-oxopyridine-4-carboxamide
CID 97284046
N,1-dimethyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]cyclohexane-1-carboxamide
CID 25381076
N-[[(3S)-1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,3-trimethylbenzamide
CID 42195502
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-4-phenylbutanamide
CID 45178746
3-(2,4-dimethylphenyl)-1-methyl-1-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]urea
CID 42593982
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N,2,4-trimethylbenzamide
CID 45184990
ethyl 2-[[methyl-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]carbamoyl]amino]acetate
CID 25396315
2-ethyl-N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 97276261
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 122131288

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide (CID 45175393) is N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is Cc1ccccc1CCN1CCCC(CN(C)C(=O)c2cc(CC(C)C)on2)C1.
What is the InChIKey of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QMHOGGVLZNBITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-18(2)14-22-15-23(25-29-22)24(28)26(4)16-20-9-7-12-27(17-20)13-11-21-10-6-5-8-19(21)3/h5-6,8,10,15,18,20H,7,9,11-14,16-17H2,1-4H3.
What are the key properties of N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide?
N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-3-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45175393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).