N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide

C19H27N3O2 — CID 143375319

IUPACN-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide
SMILESCCC1CCN(C(=O)CCC(=O)Nc2ccc(C3CC3)nc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-14-9-11-22(12-10-14)19(24)8-7-18(23)21-16-5-6-17(20-13-16)15-3-4-15/h5-6,13-15H,2-4,7-12H2,1H3,(H,21,23)
InChIKeyUPAPUMPRUQTMNM-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.33
Rot. Bonds6

About N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide

N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide (PubChem CID 143375319) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide
PubChem CID143375319
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide
SMILESCCC1CCN(C(=O)CCC(=O)Nc2ccc(C3CC3)nc2)CC1
InChIInChI=1S/C19H27N3O2/c1-2-14-9-11-22(12-10-14)19(24)8-7-18(23)21-16-5-6-17(20-13-16)15-3-4-15/h5-6,13-15H,2-4,7-12H2,1H3,(H,21,23)
InChIKeyUPAPUMPRUQTMNM-UHFFFAOYSA-N
XLogP3.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide?
The IUPAC name of N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide (CID 143375319) is N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide?
The canonical SMILES for N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide is CCC1CCN(C(=O)CCC(=O)Nc2ccc(C3CC3)nc2)CC1.
What is the InChIKey of N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide?
The InChIKey is UPAPUMPRUQTMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-2-14-9-11-22(12-10-14)19(24)8-7-18(23)21-16-5-6-17(20-13-16)15-3-4-15/h5-6,13-15H,2-4,7-12H2,1H3,(H,21,23).
What are the key properties of N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide?
N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide has a molecular weight of 329.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-3-pyridinyl)-4-(4-ethylpiperidin-1-yl)-4-oxobutanamide is sourced from PubChem (CID 143375319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).