N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

C24H39N3O5 — CID 23724208

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H37N3O.C2H2O4/c1-22(2,18-24(3)4)17-23-21(26)20-12-15-25(16-13-20)14-8-11-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-7,9-10,20H,8,11-18H2,1-4H3,(H,23,26);(H,3,4)(H,5,6)
InChIKeyZEKMOQAJYSOOTF-UHFFFAOYSA-N
MW449.59 g/mol
LogP2.19
Rot. Bonds9

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (PubChem CID 23724208) has the molecular formula C24H39N3O5 and a molecular weight of 449.59 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
PubChem CID23724208
Molecular FormulaC24H39N3O5
Molecular Weight449.59 g/mol
Exact Mass449.29
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C22H37N3O.C2H2O4/c1-22(2,18-24(3)4)17-23-21(26)20-12-15-25(16-13-20)14-8-11-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-7,9-10,20H,8,11-18H2,1-4H3,(H,23,26);(H,3,4)(H,5,6)
InChIKeyZEKMOQAJYSOOTF-UHFFFAOYSA-N
XLogP2.19
TPSA110.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.59
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide;oxalic acid
CID 163328469
1-[(4-chlorophenyl)methyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
CID 3920070
1-benzyl-N-(2,2-dimethylpropyl)piperidine-4-carboxamide
CID 141383860
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 51362752
N-butan-2-yl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 5127032
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
N-[(4-methoxyphenyl)methyl]-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 41201070
3-[(1-benzylpiperidine-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 119250204
1-benzyl-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 46773938
N,N-diethyl-1-(3-phenylpropyl)piperidine-4-carboxamide
CID 795749
1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
N-(3-methoxypropyl)-1-[1-(3-phenylpropyl)piperidin-4-yl]piperidine-4-carboxamide
CID 28767990

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid (CID 23724208) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is CN(C)CC(C)(C)CNC(=O)C1CCN(CCCc2ccccc2)CC1.O=C(O)C(=O)O.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
The InChIKey is ZEKMOQAJYSOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37N3O.C2H2O4/c1-22(2,18-24(3)4)17-23-21(26)20-12-15-25(16-13-20)14-8-11-19-9-6-5-7-10-19;3-1(4)2(5)6/h5-7,9-10,20H,8,11-18H2,1-4H3,(H,23,26);(H,3,4)(H,5,6).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid has a molecular weight of 449.59 g/mol, XLogP of 2.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-phenylpropyl)piperidine-4-carboxamide;oxalic acid is sourced from PubChem (CID 23724208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).