N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C15H29N3O2 — CID 113003552

IUPACN-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)15(20)18-10-6-13(7-11-18)14(19)16-8-5-9-17(3)4/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyBZILEJCQQSQRGT-UHFFFAOYSA-N
MW283.42 g/mol
LogP0.95
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 113003552) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID113003552
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCCCN(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-12(2)15(20)18-10-6-13(7-11-18)14(19)16-8-5-9-17(3)4/h12-13H,5-11H2,1-4H3,(H,16,19)
InChIKeyBZILEJCQQSQRGT-UHFFFAOYSA-N
XLogP0.95
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 113003552) is N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCCCN(C)C)CC1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is BZILEJCQQSQRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)15(20)18-10-6-13(7-11-18)14(19)16-8-5-9-17(3)4/h12-13H,5-11H2,1-4H3,(H,16,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 283.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 113003552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).