N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide

C13H27N3O — CID 59542501

IUPACN-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)12-5-8-16(9-6-12)13(17)14-7-10-15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyYJMYFRUAQAZONB-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.63
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide

N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 59542501) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID59542501
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)NCCN(C)C)CC1
InChIInChI=1S/C13H27N3O/c1-11(2)12-5-8-16(9-6-12)13(17)14-7-10-15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17)
InChIKeyYJMYFRUAQAZONB-UHFFFAOYSA-N
XLogP1.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide (CID 59542501) is N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)NCCN(C)C)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is YJMYFRUAQAZONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)12-5-8-16(9-6-12)13(17)14-7-10-15(3)4/h11-12H,5-10H2,1-4H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 59542501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).