N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide

C18H27N3O3 — CID 95192416

IUPACN'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide
SMILESCOc1c(C)cc(C)cc1CN1CCC[C@@H](CNC(=O)C(N)=O)C1
InChIInChI=1S/C18H27N3O3/c1-12-7-13(2)16(24-3)15(8-12)11-21-6-4-5-14(10-21)9-20-18(23)17(19)22/h7-8,14H,4-6,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t14-/m0/s1
InChIKeyDRGHDKGVPJEVFH-AWEZNQCLSA-N
MW333.43 g/mol
LogP1.13
Rot. Bonds5

About N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide

N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide (PubChem CID 95192416) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide
PubChem CID95192416
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide
SMILESCOc1c(C)cc(C)cc1CN1CCC[C@@H](CNC(=O)C(N)=O)C1
InChIInChI=1S/C18H27N3O3/c1-12-7-13(2)16(24-3)15(8-12)11-21-6-4-5-14(10-21)9-20-18(23)17(19)22/h7-8,14H,4-6,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t14-/m0/s1
InChIKeyDRGHDKGVPJEVFH-AWEZNQCLSA-N
XLogP1.13
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidine-3-carboxylic acid
CID 5235973
N'-[2-(2-methoxy-3,5-dimethylphenyl)ethyl]oxamide
CID 115192109
N'-[[1-[(3-ethenylphenyl)methyl]piperidin-3-yl]methyl]oxamide
CID 56714508
1-[(3-chloro-2-methoxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 5182680
N-[[(3S)-1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]-2-methylpropanamide
CID 95182196
(2S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]azetidine-2-carboxylic acid
CID 99937830
N-[[(3R)-1-[(5-hydroxy-2-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclobutanecarboxamide
CID 95189957
3-methyl-4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 114484796
3,5-dimethoxy-N-[[(3R)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-yl]methyl]benzamide
CID 97277347
2-hydroxy-N-[[(3R)-1-[(4-methoxy-3-methylphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95209152
N-[[1-[(3,5-dimethoxyphenyl)methyl]piperidin-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 23723951
N-[[1-[(5-chloro-2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 56704279

Frequently Asked Questions

What is the IUPAC name of N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
The IUPAC name of N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide (CID 95192416) is N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide.
What is the SMILES notation for N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
The canonical SMILES for N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide is COc1c(C)cc(C)cc1CN1CCC[C@@H](CNC(=O)C(N)=O)C1.
What is the InChIKey of N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
The InChIKey is DRGHDKGVPJEVFH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12-7-13(2)16(24-3)15(8-12)11-21-6-4-5-14(10-21)9-20-18(23)17(19)22/h7-8,14H,4-6,9-11H2,1-3H3,(H2,19,22)(H,20,23)/t14-/m0/s1.
What are the key properties of N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide?
N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide has a molecular weight of 333.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[(3S)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]piperidin-3-yl]methyl]oxamide is sourced from PubChem (CID 95192416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).