(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one

C17H19N5O2 — CID 95807908

IUPAC(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
SMILESCc1[nH]ncc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2
InChIInChI=1S/C17H19N5O2/c1-11-13(9-18-21-11)16(24)22-8-4-7-17(10-22)19-14-6-3-2-5-12(14)15(23)20-17/h2-3,5-6,9,19H,4,7-8,10H2,1H3,(H,18,21)(H,20,23)/t17-/m1/s1
InChIKeyKEOMTXMBHGMQRG-QGZVFWFLSA-N
MW325.37 g/mol
LogP1.51
Rot. Bonds1

About (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one

(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one (PubChem CID 95807908) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one.

Molecular Properties

Compound Name(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
PubChem CID95807908
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
SMILESCc1[nH]ncc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2
InChIInChI=1S/C17H19N5O2/c1-11-13(9-18-21-11)16(24)22-8-4-7-17(10-22)19-14-6-3-2-5-12(14)15(23)20-17/h2-3,5-6,9,19H,4,7-8,10H2,1H3,(H,18,21)(H,20,23)/t17-/m1/s1
InChIKeyKEOMTXMBHGMQRG-QGZVFWFLSA-N
XLogP1.51
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 110219386
1'-[2-(4-methylsulfonylphenyl)acetyl]spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one
CID 110219356
1'-(1-ethyl-5-methylpyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-azetidine]-4-one
CID 167777280
N,N-dimethyl-1-(5-methyl-1H-pyrazole-4-carbonyl)-3-[(2-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232013
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196
(5-methyl-1H-pyrazol-4-yl)-[(5S)-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 42290294
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
methyl 3-oxo-3-(4-oxospiro[1,3-dihydroquinazoline-2,4'-piperidine]-1'-yl)propanoate
CID 134069534
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 63998879
ethyl 2-[(2S)-2',4-dioxospiro[1,3-dihydroquinazoline-2,5'-azepane]-1'-yl]acetate
CID 51595581
1'-(1-phenylcyclopentanecarbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46950624
1'-(naphthalene-2-carbonyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077696

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The IUPAC name of (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one (CID 95807908) is (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one.
What is the SMILES notation for (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The canonical SMILES for (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one is Cc1[nH]ncc1C(=O)N1CCC[C@]2(C1)NC(=O)c1ccccc1N2.
What is the InChIKey of (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
The InChIKey is KEOMTXMBHGMQRG-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11-13(9-18-21-11)16(24)22-8-4-7-17(10-22)19-14-6-3-2-5-12(14)15(23)20-17/h2-3,5-6,9,19H,4,7-8,10H2,1H3,(H,18,21)(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one?
(2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one has a molecular weight of 325.37 g/mol, XLogP of 1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-(5-methyl-1H-pyrazole-4-carbonyl)spiro[1,3-dihydroquinazoline-2,3'-piperidine]-4-one is sourced from PubChem (CID 95807908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).