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

C17H27N5O — CID 25303679

IUPACN-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide
SMILESCN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)CN1CCCCC1
InChIInChI=1S/C17H27N5O/c1-21(2)17-18-11-13-14(7-6-8-15(13)20-17)19-16(23)12-22-9-4-3-5-10-22/h11,14H,3-10,12H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeySSSNRTXNCIAZRJ-AWEZNQCLSA-N
MW317.44 g/mol
LogP1.52
Rot. Bonds4

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

N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide (PubChem CID 25303679) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide
PubChem CID25303679
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC NameN-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide
SMILESCN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)CN1CCCCC1
InChIInChI=1S/C17H27N5O/c1-21(2)17-18-11-13-14(7-6-8-15(13)20-17)19-16(23)12-22-9-4-3-5-10-22/h11,14H,3-10,12H2,1-2H3,(H,19,23)/t14-/m0/s1
InChIKeySSSNRTXNCIAZRJ-AWEZNQCLSA-N
XLogP1.52
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453782
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453777
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-methoxyacetamide
CID 45187910
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 42473455
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2,4,5-trimethylbenzamide
CID 72861433
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-4-(1H-1,2,4-triazol-5-yl)benzamide
CID 72875985
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 97121248
(5R)-5-N-cyclopentyl-2-N,2-N-dimethyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 25379086
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-3-hydroxypyridine-2-carboxamide
CID 72931703
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72874872
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-1-methyl-2-oxo-6-propan-2-ylpyridine-3-carboxamide
CID 97152386
2-indol-1-yl-N-[(5R)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 95740709

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide (CID 25303679) is N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide is CN(C)c1ncc2c(n1)CCC[C@@H]2NC(=O)CN1CCCCC1.
What is the InChIKey of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide?
The InChIKey is SSSNRTXNCIAZRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N5O/c1-21(2)17-18-11-13-14(7-6-8-15(13)20-17)19-16(23)12-22-9-4-3-5-10-22/h11,14H,3-10,12H2,1-2H3,(H,19,23)/t14-/m0/s1.
What are the key properties of N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide?
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide has a molecular weight of 317.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 25303679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).