2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide

C18H28N4O — CID 164636574

IUPAC2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide
SMILESCC(C)(C[C@H]1CCCN(c2ncnc3c2CCCC3)C1)C(N)=O
InChIInChI=1S/C18H28N4O/c1-18(2,17(19)23)10-13-6-5-9-22(11-13)16-14-7-3-4-8-15(14)20-12-21-16/h12-13H,3-11H2,1-2H3,(H2,19,23)/t13-/m1/s1
InChIKeyJCFFIWBRHMJBIV-CYBMUJFWSA-N
MW316.45 g/mol
LogP2.47
Rot. Bonds4

About 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide

2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide (PubChem CID 164636574) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide
PubChem CID164636574
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide
SMILESCC(C)(C[C@H]1CCCN(c2ncnc3c2CCCC3)C1)C(N)=O
InChIInChI=1S/C18H28N4O/c1-18(2,17(19)23)10-13-6-5-9-22(11-13)16-14-7-3-4-8-15(14)20-12-21-16/h12-13H,3-11H2,1-2H3,(H2,19,23)/t13-/m1/s1
InChIKeyJCFFIWBRHMJBIV-CYBMUJFWSA-N
XLogP2.47
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide (CID 164636574) is 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide is CC(C)(C[C@H]1CCCN(c2ncnc3c2CCCC3)C1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide?
The InChIKey is JCFFIWBRHMJBIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H28N4O/c1-18(2,17(19)23)10-13-6-5-9-22(11-13)16-14-7-3-4-8-15(14)20-12-21-16/h12-13H,3-11H2,1-2H3,(H2,19,23)/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide?
2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide has a molecular weight of 316.45 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide is sourced from PubChem (CID 164636574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).