(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

C20H34N4O3 — CID 95222683

IUPAC(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCc1cc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)on1
InChIInChI=1S/C20H34N4O3/c1-3-17-13-19(27-22-17)15-23-10-6-18(7-11-23)24-9-4-5-16(14-24)20(25)21-8-12-26-2/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyAEWBHOCUKOHAGS-MRXNPFEDSA-N
MW378.52 g/mol
LogP1.68
Rot. Bonds8

About (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide

(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (PubChem CID 95222683) has the molecular formula C20H34N4O3 and a molecular weight of 378.52 g/mol. Its IUPAC name is (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
PubChem CID95222683
Molecular FormulaC20H34N4O3
Molecular Weight378.52 g/mol
Exact Mass378.26
IUPAC Name(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
SMILESCCc1cc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)on1
InChIInChI=1S/C20H34N4O3/c1-3-17-13-19(27-22-17)15-23-10-6-18(7-11-23)24-9-4-5-16(14-24)20(25)21-8-12-26-2/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyAEWBHOCUKOHAGS-MRXNPFEDSA-N
XLogP1.68
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-1-[1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95394404
1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56865643
(3R)-1-[1-[(4,6-dimethylpyrimidin-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95502510
[1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 56877882
[(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 95557314
(3R)-1-[1-[(2-ethylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95218762
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 56874680
(3R)-1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95554371
(3R)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95560997
(3S)-1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95560996
(3S)-1-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 95206919
(3S)-N-(2-methoxyethyl)-1-[1-[(4-methoxy-2-pyridinyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95402453

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide (CID 95222683) is (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is CCc1cc(CN2CCC(N3CCC[C@@H](C(=O)NCCOC)C3)CC2)on1.
What is the InChIKey of (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
The InChIKey is AEWBHOCUKOHAGS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H34N4O3/c1-3-17-13-19(27-22-17)15-23-10-6-18(7-11-23)24-9-4-5-16(14-24)20(25)21-8-12-26-2/h13,16,18H,3-12,14-15H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide?
(3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 1.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[(3-ethyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95222683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).