N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide

C20H35N3O3 — CID 121109651

IUPACN'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H35N3O3/c24-19(20(25)22-17-5-3-1-2-4-6-17)21-15-16-7-11-23(12-8-16)18-9-13-26-14-10-18/h16-18H,1-15H2,(H,21,24)(H,22,25)
InChIKeyOMJXBPJVOANKNS-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.83
Rot. Bonds4

About N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide

N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (PubChem CID 121109651) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
PubChem CID121109651
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC NameN'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
SMILESO=C(NCC1CCN(C2CCOCC2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H35N3O3/c24-19(20(25)22-17-5-3-1-2-4-6-17)21-15-16-7-11-23(12-8-16)18-9-13-26-14-10-18/h16-18H,1-15H2,(H,21,24)(H,22,25)
InChIKeyOMJXBPJVOANKNS-UHFFFAOYSA-N
XLogP1.83
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.83
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

N'-(2-methylpropyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109641
N'-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-N-prop-2-enyloxamide
CID 121109636
N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886617
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-(2-methylpropyl)oxamide
CID 16886802
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107666
[1-(oxan-4-yl)pyrrolidin-3-yl]methylcarbamic acid
CID 67502447
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-propan-2-yloxamide
CID 16886799
N'-(2-ethoxyphenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 121109673
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
(1R)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 100679957
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
N'-(2-cyanophenyl)-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide
CID 91624117

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide (CID 121109651) is N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is O=C(NCC1CCN(C2CCOCC2)CC1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
The InChIKey is OMJXBPJVOANKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c24-19(20(25)22-17-5-3-1-2-4-6-17)21-15-16-7-11-23(12-8-16)18-9-13-26-14-10-18/h16-18H,1-15H2,(H,21,24)(H,22,25).
What are the key properties of N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide?
N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide has a molecular weight of 365.52 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]oxamide is sourced from PubChem (CID 121109651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).