N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide

C17H27N5O — CID 50961015

IUPACN-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCCC3)CC1
InChIInChI=1S/C17H27N5O/c1-12(23)18-13-8-10-22(11-9-13)16-14-6-4-5-7-15(14)19-17(20-16)21(2)3/h13H,4-11H2,1-3H3,(H,18,23)
InChIKeyKXHXCWOQRXHCRE-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.53
Rot. Bonds3

About N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide

N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide (PubChem CID 50961015) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide
PubChem CID50961015
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCCC3)CC1
InChIInChI=1S/C17H27N5O/c1-12(23)18-13-8-10-22(11-9-13)16-14-6-4-5-7-15(14)19-17(20-16)21(2)3/h13H,4-11H2,1-3H3,(H,18,23)
InChIKeyKXHXCWOQRXHCRE-UHFFFAOYSA-N
XLogP1.53
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide (CID 50961015) is N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(c2nc(N(C)C)nc3c2CCCC3)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is KXHXCWOQRXHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-12(23)18-13-8-10-22(11-9-13)16-14-6-4-5-7-15(14)19-17(20-16)21(2)3/h13H,4-11H2,1-3H3,(H,18,23).
What are the key properties of N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide?
N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 317.44 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 50961015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).