N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide

C24H27N5O3 — CID 166357720

IUPACN-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide
SMILESCn1cnc2ccc(C(=O)NCc3cccc(CN4CCCC(C(N)=O)C4)c3)cc2c1=O
InChIInChI=1S/C24H27N5O3/c1-28-15-27-21-8-7-18(11-20(21)24(28)32)23(31)26-12-16-4-2-5-17(10-16)13-29-9-3-6-19(14-29)22(25)30/h2,4-5,7-8,10-11,15,19H,3,6,9,12-14H2,1H3,(H2,25,30)(H,26,31)
InChIKeyAIEHIPXDHKBQTE-UHFFFAOYSA-N
MW433.51 g/mol
LogP1.56
Rot. Bonds6

About N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide

N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide (PubChem CID 166357720) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide
PubChem CID166357720
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide
SMILESCn1cnc2ccc(C(=O)NCc3cccc(CN4CCCC(C(N)=O)C4)c3)cc2c1=O
InChIInChI=1S/C24H27N5O3/c1-28-15-27-21-8-7-18(11-20(21)24(28)32)23(31)26-12-16-4-2-5-17(10-16)13-29-9-3-6-19(14-29)22(25)30/h2,4-5,7-8,10-11,15,19H,3,6,9,12-14H2,1H3,(H2,25,30)(H,26,31)
InChIKeyAIEHIPXDHKBQTE-UHFFFAOYSA-N
XLogP1.56
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877009
1-[[3-[[[2-(cyclopentanecarbonylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900740
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[[3-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;dihydrochloride
CID 119877008
1-[[3-[(prop-2-enoylamino)methyl]phenyl]methyl]piperidine-3-carboxamide
CID 154865397
1-[[3-[[(3-cyanoquinolin-4-yl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 133320910
1-[[3-[[(4-methylsulfanylphenyl)methylcarbamoylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 86900668
1-[[3-[[(N-cyclopentyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111759508
N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 154865979
1-[[3-[[(N-cyclopropyl-N'-methylcarbamimidoyl)amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 111109672
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
(3R)-1-[[3-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 124552710

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide?
The IUPAC name of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide (CID 166357720) is N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide.
What is the SMILES notation for N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide?
The canonical SMILES for N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide is Cn1cnc2ccc(C(=O)NCc3cccc(CN4CCCC(C(N)=O)C4)c3)cc2c1=O.
What is the InChIKey of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide?
The InChIKey is AIEHIPXDHKBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-28-15-27-21-8-7-18(11-20(21)24(28)32)23(31)26-12-16-4-2-5-17(10-16)13-29-9-3-6-19(14-29)22(25)30/h2,4-5,7-8,10-11,15,19H,3,6,9,12-14H2,1H3,(H2,25,30)(H,26,31).
What are the key properties of N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide?
N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3-carbamoylpiperidin-1-yl)methyl]phenyl]methyl]-3-methyl-4-oxoquinazoline-6-carboxamide is sourced from PubChem (CID 166357720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).