N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid

C22H39N3O5 — CID 171668895

IUPACN-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid
SMILESCC(C(=O)N(C)C1CCCCC1)N1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H37N3O.C2H2O4/c1-17(20(24)21(2)18-9-5-3-6-10-18)22-15-11-19(12-16-22)23-13-7-4-8-14-23;3-1(4)2(5)6/h17-19H,3-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUWXFVSYLXCXOTC-UHFFFAOYSA-N
MW425.57 g/mol
LogP2.27
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid

N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid (PubChem CID 171668895) has the molecular formula C22H39N3O5 and a molecular weight of 425.57 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid
PubChem CID171668895
Molecular FormulaC22H39N3O5
Molecular Weight425.57 g/mol
Exact Mass425.29
IUPAC NameN-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid
SMILESCC(C(=O)N(C)C1CCCCC1)N1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H37N3O.C2H2O4/c1-17(20(24)21(2)18-9-5-3-6-10-18)22-15-11-19(12-16-22)23-13-7-4-8-14-23;3-1(4)2(5)6/h17-19H,3-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyUWXFVSYLXCXOTC-UHFFFAOYSA-N
XLogP2.27
TPSA101.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid?
The IUPAC name of N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid (CID 171668895) is N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid is CC(C(=O)N(C)C1CCCCC1)N1CCC(N2CCCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid?
The InChIKey is UWXFVSYLXCXOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O.C2H2O4/c1-17(20(24)21(2)18-9-5-3-6-10-18)22-15-11-19(12-16-22)23-13-7-4-8-14-23;3-1(4)2(5)6/h17-19H,3-16H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid?
N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid has a molecular weight of 425.57 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)propanamide;oxalic acid is sourced from PubChem (CID 171668895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).