1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide

C22H25N5O — CID 56729237

IUPAC1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide
SMILESCC(Nc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N5O/c1-15(16-7-3-2-4-8-16)24-21-18-9-5-6-10-19(18)25-22(26-21)27-13-11-17(12-14-27)20(23)28/h2-10,15,17H,11-14H2,1H3,(H2,23,28)(H,24,25,26)
InChIKeyBYKYXYPSUNBEIN-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.50
Rot. Bonds5

About 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide

1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide (PubChem CID 56729237) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide
PubChem CID56729237
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide
SMILESCC(Nc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H25N5O/c1-15(16-7-3-2-4-8-16)24-21-18-9-5-6-10-19(18)25-22(26-21)27-13-11-17(12-14-27)20(23)28/h2-10,15,17H,11-14H2,1H3,(H2,23,28)(H,24,25,26)
InChIKeyBYKYXYPSUNBEIN-UHFFFAOYSA-N
XLogP3.50
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide (CID 56729237) is 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide is CC(Nc1nc(N2CCC(C(N)=O)CC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide?
The InChIKey is BYKYXYPSUNBEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15(16-7-3-2-4-8-16)24-21-18-9-5-6-10-19(18)25-22(26-21)27-13-11-17(12-14-27)20(23)28/h2-10,15,17H,11-14H2,1H3,(H2,23,28)(H,24,25,26).
What are the key properties of 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide?
1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 56729237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).