N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide

C19H24N6O2 — CID 126423287

IUPACN-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide
SMILESCN1C[C@H](NC(=O)N2CCN(c3ncnc4ccccc34)CC2)CCC1=O
InChIInChI=1S/C19H24N6O2/c1-23-12-14(6-7-17(23)26)22-19(27)25-10-8-24(9-11-25)18-15-4-2-3-5-16(15)20-13-21-18/h2-5,13-14H,6-12H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyBIUCABZUPXDTBL-CQSZACIVSA-N
MW368.44 g/mol
LogP1.08
Rot. Bonds2

About N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide

N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide (PubChem CID 126423287) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide
PubChem CID126423287
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC NameN-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide
SMILESCN1C[C@H](NC(=O)N2CCN(c3ncnc4ccccc34)CC2)CCC1=O
InChIInChI=1S/C19H24N6O2/c1-23-12-14(6-7-17(23)26)22-19(27)25-10-8-24(9-11-25)18-15-4-2-3-5-16(15)20-13-21-18/h2-5,13-14H,6-12H2,1H3,(H,22,27)/t14-/m1/s1
InChIKeyBIUCABZUPXDTBL-CQSZACIVSA-N
XLogP1.08
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-quinazolin-4-ylpiperidin-4-yl)morpholine-4-carboxamide
CID 175650217
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042
2-[4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]piperazin-1-yl]acetic acid
CID 64667444
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817
3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 131922852
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940
4-[(3-chlorocyclohexyl)methyl]-N-(1-methyl-6-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 165157058
1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
CID 64669796

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide (CID 126423287) is N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide is CN1C[C@H](NC(=O)N2CCN(c3ncnc4ccccc34)CC2)CCC1=O.
What is the InChIKey of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
The InChIKey is BIUCABZUPXDTBL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-23-12-14(6-7-17(23)26)22-19(27)25-10-8-24(9-11-25)18-15-4-2-3-5-16(15)20-13-21-18/h2-5,13-14H,6-12H2,1H3,(H,22,27)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide?
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-quinazolin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 126423287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).