1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide

C15H27N3O2 — CID 75461724

IUPAC1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC(C2CC2)N(C)C)C1
InChIInChI=1S/C15H27N3O2/c1-11(19)18-8-4-5-13(10-18)15(20)16-9-14(17(2)3)12-6-7-12/h12-14H,4-10H2,1-3H3,(H,16,20)
InChIKeyAGGPGOYFIKFZQQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.70
Rot. Bonds5

About 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide

1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide (PubChem CID 75461724) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide
PubChem CID75461724
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)NCC(C2CC2)N(C)C)C1
InChIInChI=1S/C15H27N3O2/c1-11(19)18-8-4-5-13(10-18)15(20)16-9-14(17(2)3)12-6-7-12/h12-14H,4-10H2,1-3H3,(H,16,20)
InChIKeyAGGPGOYFIKFZQQ-UHFFFAOYSA-N
XLogP0.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide (CID 75461724) is 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCC(C2CC2)N(C)C)C1.
What is the InChIKey of 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
The InChIKey is AGGPGOYFIKFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11(19)18-8-4-5-13(10-18)15(20)16-9-14(17(2)3)12-6-7-12/h12-14H,4-10H2,1-3H3,(H,16,20).
What are the key properties of 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide?
1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-cyclopropyl-2-(dimethylamino)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 75461724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).