1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide

C16H29N3O2 — CID 6467229

IUPAC1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCCN1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H29N3O2/c1-3-8-18-9-6-15(7-10-18)17-16(21)14-4-11-19(12-5-14)13(2)20/h14-15H,3-12H2,1-2H3,(H,17,21)
InChIKeyGNXBXNOTOHFHPP-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.24
Rot. Bonds4

About 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide

1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide (PubChem CID 6467229) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
PubChem CID6467229
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
SMILESCCCN1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1
InChIInChI=1S/C16H29N3O2/c1-3-8-18-9-6-15(7-10-18)17-16(21)14-4-11-19(12-5-14)13(2)20/h14-15H,3-12H2,1-2H3,(H,17,21)
InChIKeyGNXBXNOTOHFHPP-UHFFFAOYSA-N
XLogP1.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide (CID 6467229) is 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide is CCCN1CCC(NC(=O)C2CCN(C(C)=O)CC2)CC1.
What is the InChIKey of 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide?
The InChIKey is GNXBXNOTOHFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-3-8-18-9-6-15(7-10-18)17-16(21)14-4-11-19(12-5-14)13(2)20/h14-15H,3-12H2,1-2H3,(H,17,21).
What are the key properties of 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide?
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 6467229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).