N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide

C16H29N3O2 — CID 16886799

IUPACN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)18-16(21)15(20)17-11-13-7-9-19(10-8-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGAUWXPARFARECC-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.28
Rot. Bonds4

About N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide (PubChem CID 16886799) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
PubChem CID16886799
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
SMILESCC(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)18-16(21)15(20)17-11-13-7-9-19(10-8-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyGAUWXPARFARECC-UHFFFAOYSA-N
XLogP1.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N-[(1-cyclopentylpiperidin-4-yl)methyl]-2,2-dimethylpropanamide
CID 16895618
N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(3,5-dimethylphenyl)oxamide
CID 16886755
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 16886771
N-[(1-cyclopentylpiperidin-4-yl)methyl]propan-2-amine
CID 63847367
(3S)-3-amino-4-[(1-cyclopentylpiperidin-4-yl)methylamino]-4-oxobutanoic acid
CID 131947489
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
N-[(1-cycloheptylpiperidin-4-yl)methyl]propan-2-amine
CID 82925346
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-ethylphenyl)oxamide
CID 16886788
N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109651

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
The IUPAC name of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide (CID 16886799) is N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide.
What is the SMILES notation for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
The canonical SMILES for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide is CC(C)NC(=O)C(=O)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
The InChIKey is GAUWXPARFARECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)18-16(21)15(20)17-11-13-7-9-19(10-8-13)14-5-3-4-6-14/h12-14H,3-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide?
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide has a molecular weight of 295.43 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide is sourced from PubChem (CID 16886799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).