N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide

C19H24N4O3S — CID 118754402

IUPACN-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)NC3CC3)C2)nc2cc(S(C)(=O)=O)ccc12
InChIInChI=1S/C19H24N4O3S/c1-12-16-8-7-15(27(2,25)26)10-17(16)22-19(20-12)23-9-3-4-13(11-23)18(24)21-14-5-6-14/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,21,24)
InChIKeyLOCGUCICMAELLX-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.84
Rot. Bonds4

About N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide

N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide (PubChem CID 118754402) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
PubChem CID118754402
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
SMILESCc1nc(N2CCCC(C(=O)NC3CC3)C2)nc2cc(S(C)(=O)=O)ccc12
InChIInChI=1S/C19H24N4O3S/c1-12-16-8-7-15(27(2,25)26)10-17(16)22-19(20-12)23-9-3-4-13(11-23)18(24)21-14-5-6-14/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,21,24)
InChIKeyLOCGUCICMAELLX-UHFFFAOYSA-N
XLogP1.84
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclohexylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45179400
N-(3-hydroxy-2,2-dimethylpropyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45170878
(3S)-N-[(3,5-dimethoxyphenyl)methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 42369759
(3R)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 124808633
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45198595
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 124808634
N-[2-(3-fluorophenyl)ethyl]-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 45171020
(3S)-N-(cyclopropylmethyl)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-propylpiperidine-3-carboxamide
CID 42211653
methyl 1-[1-(4-methyl-7-methylsulfonylquinazolin-2-yl)azepan-4-yl]piperidine-4-carboxylate
CID 45199669
1-(4-methyl-7-methylsulfonylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)-N-propylpiperidine-3-carboxamide
CID 45216484
N-butyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-4-carboxamide
CID 42452627
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide (CID 118754402) is N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide is Cc1nc(N2CCCC(C(=O)NC3CC3)C2)nc2cc(S(C)(=O)=O)ccc12.
What is the InChIKey of N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide?
The InChIKey is LOCGUCICMAELLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-16-8-7-15(27(2,25)26)10-17(16)22-19(20-12)23-9-3-4-13(11-23)18(24)21-14-5-6-14/h7-8,10,13-14H,3-6,9,11H2,1-2H3,(H,21,24).
What are the key properties of N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide?
N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 118754402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).