N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide

C16H29N3O3 — CID 16886658

IUPACN'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-22-11-10-19-8-6-13(7-9-19)12-17-15(20)16(21)18-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyJSOJIJQTSFEAQY-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.52
Rot. Bonds6

About N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide

N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (PubChem CID 16886658) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
PubChem CID16886658
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide
SMILESCOCCN1CCC(CNC(=O)C(=O)NC2CCCC2)CC1
InChIInChI=1S/C16H29N3O3/c1-22-11-10-19-8-6-13(7-9-19)12-17-15(20)16(21)18-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21)
InChIKeyJSOJIJQTSFEAQY-UHFFFAOYSA-N
XLogP0.52
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.52
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

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
Ethyl 4-[1-(cyclopentylamino)-3-methyl-1-oxobutan-2-yl]piperazine-1-carboxylate
CID 53384144
N-{1-[(2-Methoxy-ethylcarbamoyl)-methyl]-piperidin-4-yl}-2,2-dimethyl-propionamide
CID 3221021
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride
CID 43810708
(6S)-6-butan-2-yl-1-butylpiperazine-2,3-dione
CID 16745942
N-(1-methoxypropan-2-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 45796799
N1-((1-(2-methoxyethyl)piperidin-4-yl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49751077
2-(4-(Hydroxymethyl)piperidin-1-yl)-N-(1-methoxypropan-2-yl)acetamide
CID 53515582
2-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl-methylamino]-N-propan-2-ylacetamide
CID 53616550
4-[1-(cyclopentylamino)-1-oxopropan-2-yl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 72023434
Cambridge id 5488718
CID 2849065

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide (CID 16886658) is N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is COCCN1CCC(CNC(=O)C(=O)NC2CCCC2)CC1.
What is the InChIKey of N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
The InChIKey is JSOJIJQTSFEAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-22-11-10-19-8-6-13(7-9-19)12-17-15(20)16(21)18-14-4-2-3-5-14/h13-14H,2-12H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide?
N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide has a molecular weight of 311.43 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 16886658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).