1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide

C18H26N4O3 — CID 38587431

IUPAC1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)17(25)20-12-15(23)22-10-6-13(7-11-22)16(24)21-14-4-8-19-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyDAJXHKRWSIWULB-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide

1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 38587431) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID38587431
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCC(C)(C)C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1
InChIInChI=1S/C18H26N4O3/c1-18(2,3)17(25)20-12-15(23)22-10-6-13(7-11-22)16(24)21-14-4-8-19-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyDAJXHKRWSIWULB-UHFFFAOYSA-N
XLogP1.42
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide (CID 38587431) is 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide is CC(C)(C)C(=O)NCC(=O)N1CCC(C(=O)Nc2ccncc2)CC1.
What is the InChIKey of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is DAJXHKRWSIWULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-18(2,3)17(25)20-12-15(23)22-10-6-13(7-11-22)16(24)21-14-4-8-19-9-5-14/h4-5,8-9,13H,6-7,10-12H2,1-3H3,(H,20,25)(H,19,21,24).
What are the key properties of 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide?
1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropanoylamino)acetyl]-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 38587431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).