1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

C17H27N3O2 — CID 138052956

IUPAC1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(O)c1cccc(N2CCC(C(=O)N(C)C(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-12(2)19(4)17(22)14-8-10-20(11-9-14)16-7-5-6-15(18-16)13(3)21/h5-7,12-14,21H,8-11H2,1-4H3
InChIKeyUZPSKYWQGNJQNQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.22
Rot. Bonds4

About 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide

1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (PubChem CID 138052956) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
PubChem CID138052956
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide
SMILESCC(O)c1cccc(N2CCC(C(=O)N(C)C(C)C)CC2)n1
InChIInChI=1S/C17H27N3O2/c1-12(2)19(4)17(22)14-8-10-20(11-9-14)16-7-5-6-15(18-16)13(3)21/h5-7,12-14,21H,8-11H2,1-4H3
InChIKeyUZPSKYWQGNJQNQ-UHFFFAOYSA-N
XLogP2.22
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide (CID 138052956) is 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is CC(O)c1cccc(N2CCC(C(=O)N(C)C(C)C)CC2)n1.
What is the InChIKey of 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is UZPSKYWQGNJQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-12(2)19(4)17(22)14-8-10-20(11-9-14)16-7-5-6-15(18-16)13(3)21/h5-7,12-14,21H,8-11H2,1-4H3.
What are the key properties of 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide?
1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 305.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-hydroxyethyl)-2-pyridinyl]-N-methyl-N-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 138052956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).