6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

C19H29N3O2 — CID 75446961

IUPAC6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H29N3O2/c1-14(2)11-16-12-15(13-18(23)20-16)19(24)22-9-5-17(6-10-22)21-7-3-4-8-21/h12-14,17H,3-11H2,1-2H3,(H,20,23)
InChIKeyHIIKVJHEIQYPIQ-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.27
Rot. Bonds4

About 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one

6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 75446961) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID75446961
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESCC(C)Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)cc(=O)[nH]1
InChIInChI=1S/C19H29N3O2/c1-14(2)11-16-12-15(13-18(23)20-16)19(24)22-9-5-17(6-10-22)21-7-3-4-8-21/h12-14,17H,3-11H2,1-2H3,(H,20,23)
InChIKeyHIIKVJHEIQYPIQ-UHFFFAOYSA-N
XLogP2.27
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one (CID 75446961) is 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is CC(C)Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)cc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is HIIKVJHEIQYPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-14(2)11-16-12-15(13-18(23)20-16)19(24)22-9-5-17(6-10-22)21-7-3-4-8-21/h12-14,17H,3-11H2,1-2H3,(H,20,23).
What are the key properties of 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one?
6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 75446961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).