(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide

C19H29N3O2 — CID 97051485

IUPAC(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1ccc(CCNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cn1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-17(22-11-5-4-6-18(22)23)19(24)20-10-9-16-8-7-15(3)21-13-16/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,20,24)/t17-/m1/s1
InChIKeyRMTRZENVVIVNAF-QGZVFWFLSA-N
MW331.46 g/mol
LogP2.48
Rot. Bonds7

About (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide

(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide (PubChem CID 97051485) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
PubChem CID97051485
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide
SMILESCc1ccc(CCNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cn1
InChIInChI=1S/C19H29N3O2/c1-14(2)12-17(22-11-5-4-6-18(22)23)19(24)20-10-9-16-8-7-15(3)21-13-16/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,20,24)/t17-/m1/s1
InChIKeyRMTRZENVVIVNAF-QGZVFWFLSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The IUPAC name of (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide (CID 97051485) is (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide.
What is the SMILES notation for (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The canonical SMILES for (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide is Cc1ccc(CCNC(=O)[C@@H](CC(C)C)N2CCCCC2=O)cn1.
What is the InChIKey of (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide?
The InChIKey is RMTRZENVVIVNAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)12-17(22-11-5-4-6-18(22)23)19(24)20-10-9-16-8-7-15(3)21-13-16/h7-8,13-14,17H,4-6,9-12H2,1-3H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide?
(2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide has a molecular weight of 331.46 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]-2-(2-oxopiperidin-1-yl)pentanamide is sourced from PubChem (CID 97051485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).