N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide

C20H30N4O2 — CID 121107666

IUPACN'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(20(26)23-17-5-3-1-2-4-6-17)22-15-16-9-13-24(14-10-16)18-7-11-21-12-8-18/h7-8,11-12,16-17H,1-6,9-10,13-15H2,(H,22,25)(H,23,26)
InChIKeyIBFYXDNFYOVIGV-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.25
Rot. Bonds4

About N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide

N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 121107666) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
PubChem CID121107666
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
SMILESO=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC1CCCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(20(26)23-17-5-3-1-2-4-6-17)22-15-16-9-13-24(14-10-16)18-7-11-21-12-8-18/h7-8,11-12,16-17H,1-6,9-10,13-15H2,(H,22,25)(H,23,26)
InChIKeyIBFYXDNFYOVIGV-UHFFFAOYSA-N
XLogP2.25
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.25
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'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
2-cyclohexyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 121108728
N'-propan-2-yl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 121107650
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
1-cyclohexyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]urea
CID 121108676
N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]-N'-[4-(trifluoromethoxy)phenyl]oxamide
CID 121107711
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
4-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 121108725
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886617

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide (CID 121107666) is N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is O=C(NCC1CCN(c2ccncc2)CC1)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is IBFYXDNFYOVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(20(26)23-17-5-3-1-2-4-6-17)22-15-16-9-13-24(14-10-16)18-7-11-21-12-8-18/h7-8,11-12,16-17H,1-6,9-10,13-15H2,(H,22,25)(H,23,26).
What are the key properties of N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide?
N'-cycloheptyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 358.49 g/mol, XLogP of 2.25, 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-pyridin-4-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 121107666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).