N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide

C17H24N4O — CID 123516261

IUPACN-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2ncnc3c2C=CCC3)CC1
InChIInChI=1S/C17H24N4O/c1-2-5-16(22)20-13-8-10-21(11-9-13)17-14-6-3-4-7-15(14)18-12-19-17/h3,6,12-13H,2,4-5,7-11H2,1H3,(H,20,22)
InChIKeyVBHUETWEYGRWBN-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.32
Rot. Bonds4

About N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide

N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide (PubChem CID 123516261) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide
PubChem CID123516261
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide
SMILESCCCC(=O)NC1CCN(c2ncnc3c2C=CCC3)CC1
InChIInChI=1S/C17H24N4O/c1-2-5-16(22)20-13-8-10-21(11-9-13)17-14-6-3-4-7-15(14)18-12-19-17/h3,6,12-13H,2,4-5,7-11H2,1H3,(H,20,22)
InChIKeyVBHUETWEYGRWBN-UHFFFAOYSA-N
XLogP2.32
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-phenylpyrimidin-4-yl)-N-prop-2-enylpiperidine-4-carboxamide
CID 3231362
N-(1-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809798
N-[(4-Methylphenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-YL]piperidine-4-carboxamide
CID 91892457
N-(3-phenylpropyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892472
N-benzyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 1085093
7-(cyclopropylcarbonyl)-N-[2-(4-ethylphenyl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56864851
6-methyl-1-[3-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ylamino)propyl]-2(1H)-pyridinone dihydrochloride
CID 56917219
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456
N-[1-(4-fluorophenyl)ethyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892468
N-(2-phenylethyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892469
N-(4-Phenylbutan-2-YL)-1-[6-(trifluoromethyl)pyrimidin-4-YL]piperidine-4-carboxamide
CID 91892473
N-[(4-fluorophenyl)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91908809

Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide (CID 123516261) is N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide is CCCC(=O)NC1CCN(c2ncnc3c2C=CCC3)CC1.
What is the InChIKey of N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is VBHUETWEYGRWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-5-16(22)20-13-8-10-21(11-9-13)17-14-6-3-4-7-15(14)18-12-19-17/h3,6,12-13H,2,4-5,7-11H2,1H3,(H,20,22).
What are the key properties of N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide?
N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 300.41 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,8-dihydroquinazolin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 123516261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).