N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

C18H26ClN3O2 — CID 16886576

IUPACN'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-13(2)22-9-7-15(8-10-22)12-21-18(24)17(23)20-11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFKIKUMHNBRMYJD-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.19
Rot. Bonds5

About N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886576) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
PubChem CID16886576
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
SMILESCC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-13(2)22-9-7-15(8-10-22)12-21-18(24)17(23)20-11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyFKIKUMHNBRMYJD-UHFFFAOYSA-N
XLogP2.19
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.19
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'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
N'-[(2-methoxyphenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886626
N-[(4-chlorophenyl)methyl]-2-[3-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 111543820
N'-(2-fluorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886603
3-(4-chlorophenoxy)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]propanamide
CID 51096129
N-[[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]methyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121108011
N'-[(4-chlorophenyl)methyl]-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 71786323
N'-[(4-methoxyphenyl)methyl]-N-[(1-methylpiperidin-4-yl)methyl]oxamide
CID 16886512
N-[(1-cyclopentylpiperidin-4-yl)methyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 16886745
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
N'-cycloheptyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886617
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801083

Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide (CID 16886576) is N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is CC(C)N1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
The InChIKey is FKIKUMHNBRMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-13(2)22-9-7-15(8-10-22)12-21-18(24)17(23)20-11-14-3-5-16(19)6-4-14/h3-6,13,15H,7-12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide has a molecular weight of 351.88 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).